General Information of the Compound
Compound ID |
CP0904442
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Compound Name |
4-[4-((S)-2-Amino-3-phenyl-propylamino)-6-tert-butyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-2-methyl-but-3-yn-2-ol
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Structure |
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Formula |
C29H33N5OS
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Molecular Weight |
499.684
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Canonical SMILES |
CC(C)(O)C#Cc1c(C(C)(C)C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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InChI |
InChI=1S/C29H33N5OS/c1-28(2,3)25-22(11-14-29(4,5)35)23-24(36-25)27(34-26(33-23)20-12-15-31-16-13-20)32-18-21(30)17-19-9-7-6-8-10-19/h6-10,12-13,15-16,21,35H,17-18,30H2,1-5H3,(H,32,33,34)/t21-/m0/s1
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InChIKey |
VTZNTDCHRUPJLN-NRFANRHFSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound