General Information of the Compound
| Compound ID |
CP0542833
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| Compound Name |
(1R,3R)-3-[(3-bromo-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-methylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C21H20BrN7O
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| Molecular Weight |
466.343
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| Canonical SMILES |
CNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C21H20BrN7O/c1-23-20(30)13-4-5-14(9-13)26-21-25-11-16-18(22)28-29(19(16)27-21)15-6-7-17-12(10-15)3-2-8-24-17/h2-3,6-8,10-11,13-14H,4-5,9H2,1H3,(H,23,30)(H,25,26,27)/t13-,14-/m1/s1
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| InChIKey |
OKOAXHQDKOTOAK-ZIAGYGMSSA-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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Map of Molecular Bioactivity Related to the Compound
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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