Coalition for Affordable Drugs IV LLC – Exhibit 1012
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`4/17/2015
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`PC|32765 Racem ate | C25H 24N 602 - PubC hem
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`0 Contents
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`1 2D Structure
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`2 3D Conformer
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`3 Identification
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`4 Chemical and Physical Properties
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`5 Related Records
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`6 Chemical Vendors
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`7 Literature
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`8 Patents
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`9 Classification
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`10 Information Sources
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`http://pubchem.ncbi.n|m.nih.gov/compound/16126651#section=Top
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`2/14
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`PC|32765 Racemate | C25H 24N602 - PubC hem
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`1 2D Structure
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`Q Search
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`3. Download
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`IZI Get Image
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`
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`from Pub Chem [1]
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`htlp://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`3/14
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`4/17/2015
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`PC I32765 Racem ate | C25H 24N 602 - PubC hem
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`2 3D Conformer
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`Q Search
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`3. Download
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`IZI Get Image
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`g
`\
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`\;£;\’
`‘
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`(
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`,
`\ ‘
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`' ‘
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`/\ |
`,
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`1
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`I
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`\
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`L/“
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`Q Magnify
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`E Show Hydrogens
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`E’ Show Atoms
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`C] Animate
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`from Pub Chem [7]
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`htlp://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`4/14
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`PC|32765 Racemate | C25H24N602 - PubC hern
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`3 Identification
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`3.1 Computed Descriptors
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`3.1.1 IUPAC Name
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`1-[3-[4-amino-3-(4-phenoxypheny|)pyrazo|o[3,4-d]pyrimidin-1-y|]piperidin-1-y|]prop-2-en-1-one
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`from PubChem [1]
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`3.1 .2 lnCh|
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`|nCh|=1S/C25H24N602/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-1 1-
`17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
`from PubChem [7]
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`3.1.3 |nCh| Key
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`XYFPV\IWZEPKGCCK—UHFFFAOYSA—N
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`from PubChem [1]
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`3.1.4 Canonical SMILES
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`C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N
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`from PubChem [1]
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`3.2 Synonyms
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`3.2.1 MeSH Synonyms
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`ibrutinib
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`PCI 32765
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`PCI-32765
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`PC|32765
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`:'>.‘-'9!‘-3.-‘
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`from MeSH [2] http://WWW.ncbi.nlm.nih.gov/mesh/67551803
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`3.2.2 Depositor-Supplied Synonyms
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`1. PC|32765 Racemate
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`2. PCI 32765 Racemate
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`3. PCI-32765 Racemate
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`4. PCI-32765
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`5. 936563-87-0
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`6. 936563-96-1 pound not PC|32765 pound not PCI 32765
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`11.
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`|brutinib[
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`12. SCHEME
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`13. CTK8F83
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`14. Mo|Port-C
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`15. XYFP\/\N
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`16. BCPP00(
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`7. 1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazo|o[3,4-d]pyrimidin-1-y|)piperidin-1-y|)prop-2-en-1-one 17. 1-((R)-3-(4
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`8. UNII-1X7OOSD4VX
`9. CRA—032765
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`18. 1-((S)-3-(-
`19. HY—10997
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`10. 1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazo|o[3,4-d]pyrimidin-1-y|]piperidin-1-y|]prop-2-en-1-one 20. Pc-32765
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`I
`1
`http://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`from Pub Chem [1]
`>
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`5/14
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`htlp://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`6/14
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`PC |32765 R acem ate | C 25H 24N 602 - PubC hem
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`4 Chemical and Physical Properties
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`4.1 Computed Properties
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`Molecular Weight
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`Molecular Formula
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`XLogP3
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`Hydrogen Bond Donor Count
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`Hydrogen Bond Acceptor Count
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`Rotatable Bond Count
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`Exact Mass
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`Monoisotopic Mass
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`440.49706 glmol
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`C25H24N5O2
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`3.6
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`1
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`6
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`5
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`440.196074 glmol
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`440.196074 glmol
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`Topological Polar Surface Area
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`99.2 A"2
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`Heavy Atom Count
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`Formal Charge
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`Complexity
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`Isotope Atom Count
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`Defined Atom Stereocenter Count
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`Undefined Atom Stereocenter Count
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`Defined Bond Stereocenter Count
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`Undefined Bond Stereocenter Count
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`Covalently-Bonded Unit Count
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`33
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`0
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`678
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`0
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`0
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`1
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`0
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`0
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`1
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`from Pub Chem [7]
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`http://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`PC I32765 R acem ate | C 25H 24N 602 - PubC hem
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`5 Related Records
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`5.1 Related Compounds with Annotation
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`Medications (1)
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`Literature (2)
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`3D Structure (3)
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`Bioactivities (16)
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`Patents (237)
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`.*.. Download
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`it
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`9
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`all
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`'
`PCI 32765
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`5.2 Related Compounds
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`Same Connectivity
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`Same Isotope
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`Same Parent, Connectivity
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`Same Parent, Isotope
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`Same Parent, Exact
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`Mixtures, Components, and Neutralized Forms
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`Similar Compounds
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`Similar Conformers
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`5.3 Related Substances
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`All
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`Same
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`Mixture
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`33
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`3
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`36
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`5
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`2
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`1
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`1902
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`141
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`31
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`29
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`2
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`from PubChem [1]
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`from Pub Chem [1]
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`from Pub Chem [1]
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`htlp://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`PC |32765 Racem ate | C25H 24N 602 - PubC hem
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`6 Chemical Vendors
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`Vendorlsupplier
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`Chembase.cn
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`Adooq BioScience
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`Angene Chemical
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`Inhibitor 2
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`Debye Scientific Co., Ltd
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`Excenen Pharmatech
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`Acesobio
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`BioChemPartner
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`EMD Biosciences
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`MoIPort
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`Medchemexpress MCE
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`Selleckbio
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`Rosewachem
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`Y Refine/Analyze
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`in Download
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`Purchasable Chemical
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`Pubchem SID
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`73181
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`PCI-32765
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`AG-L-65102
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`PCI-32765
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`DB—079642
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`EX-5965
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`cc-214
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`BCP9001055
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`BCPP000127
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`203661
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`M o|Port—021—804—988
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`HY-10997A
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`PCI -32765
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`RW4153
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`162038101
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`135727459
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`136415980
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`136367680
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`202562042
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`123051126
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`16201 1562
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`144116342
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`136367840
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`56365456
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`225362718
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`210280373
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`136349549
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`164034386
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`from PubChem [1]
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`http://pubchem .ncbi .n|m .ni h.govIcom poundI161 26651#secti on= Top
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`PC I32765 R acem ate | C 25H 24N 602 - PubC hem
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`7 Literature
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`7.1 NLM Curated PubMed Citations
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`All NLM Curated PubMed Citations
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`from PubChem [7]
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`htlp://pubchem .ncbi .ni m .ni h.gov/com pound/16126651#section= Top
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`10/14
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`PC I32765 R acem ate | C 25H 24N 602 - PubC hem
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`8 Patents
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`8.1 Depositor-Supplied Patent Identifiers
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`1t0100f24
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`1
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`2
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`3
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`Patent
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`Y Refine/Analyze
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`.*. Download
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`3 Relevance
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`V
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`Submitted Granted
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`BRUTON'S TYROSINE KINASE ACTIVITY PROBE AND METHOD OF USING
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`[US2008214501]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2010022561]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2010041677]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2011281322]
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`Methods and Compositions for Inhibition of Bone Resorption [US2013178483]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2014080844]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2010324050]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2011039868]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2011086866]
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`INHIBITORS OF BRUTON'S TYROSINE KINASE [US2010254905]
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`2008-09-04
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`2010-01-28
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`2010-02-18
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`2011-1 1-17
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`2012-06-28
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`2013-07-11
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`2013-11-20
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`2014-03-20
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`2010-12-23
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`2011-02-17
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`2011-04-14
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`2010-10-07
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`from Pub Chem [1]
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`htip://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`11/14
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`PC I32765 R acem ate | C 25H 24N 602 - PubC hem
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`9 Classification
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`9.1 Ontologies
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`9.1.1 MeSH Tree
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`HID
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`1 to 1 of 1
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`PCI 32765
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`9.1.2 WIPO IPC
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`HID
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`Y Refine/Analyze
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`3.. Download
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`E List View 5 Tree View
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`from MeSH [3] http://www. nlm. nih. gov/mesh/meshhome. html
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`1 to 10 of 34
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`1
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`2
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`3
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`4
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`EE List View 6 Tree View
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`Y Refine/Analyze
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`J. Download
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`A61 P1 1/06 - Antiasthmatics
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`A61P17/O6 - Antipsoriatics
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`A61P19/02 - forjoint disorders, e.g. arthritis, arthrosis
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`A61P25/00 - Drugs for disorders of the nervous system
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`A61P29/00 - Non-central analgesic, antipyretic or antiinflammatory agents, e.g antirheuma...
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`A61P35/00 - Antineoplastic agents
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`A61P35/02 - specific for leukemia
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`A61P35/04 — specific for metastasis
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`A61P37/00 - Drugs for immunological or allergic disorders
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`A61P37/06 - Immunosuppressants, e.g. drugs for graft rejection
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`http://pubchem .ncbi .n| m .ni h.gov/com pound/16126651#section= Top
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`12/14
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`from WIPO [4] http://www. wipo.int/classificationsfipd
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`4/17/2015
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`PC|32765 Racemate | C25H24N602 - PubChem
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`9.2 Substance Categorization Classification
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`.*. Download
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`> Bioassay Screening Results (3)
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`> Biological Properties (5)
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`> Chemical Reactions (3)
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`> Database Vendor (2)
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`> Journal Publishers (1)
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`> NIH Molecular Libraries (1)
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`> Patents (5)
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`> Physical Properties (1)
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`> Substance Vendors (14)
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`> Theoretical Properties (1)
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`> Toxicology (1)
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`http:llpubchem.ncbi.n|m.nih.govIcompound/16126651#section=Top
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`PC |32765 Racem ate | C25H 24N 602 - PubC hem
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`10 Information Sources
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`1. PubChem http://pubchem.ncbi.n|m.nih.gov
`Data deposited in or computed by PubChem
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`2. PCI 32765 from MeSH 67551803 http://wvvw.ncbi.n|m.nih.gov/mesh/67551803
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`3. MeSH Tree from MeSH DescTree http://vwvw.nlm.nih.gov/mesh/meshhome.html
`MeSH (Medical Subject Headings) is the NLM controlled vocabulary thesaurus used for indexing articles for
`PubMed.
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`4.
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`International Patent Classification 2015 from WIPO IPC http://wvvw.wipo.intlclassificationslipcl
`The World Intellectual Property Organization (WIPO) International Patent Classification (IPC) provides for a
`hierarchical system of language independent symbols for the classification of patents and utility models
`according to the different areas of technology to which they pertain.
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`http://pubchem .ncbi .nlm .ni h.gov/com pound/161 26651#secti on= Top
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