General Information of the Compound
| Compound ID |
CP0573500
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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-sulfonamide
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| Structure |
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| Formula |
C20H20BrN7O2S
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| Molecular Weight |
502.398
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| Canonical SMILES |
CNS(=O)(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C20H20BrN7O2S/c1-22-31(29,30)15-6-4-13(10-15)25-20-24-11-16-18(21)27-28(19(16)26-20)14-5-7-17-12(9-14)3-2-8-23-17/h2-3,5,7-9,11,13,15,22H,4,6,10H2,1H3,(H,24,25,26)/t13-,15-/m1/s1
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| InChIKey |
OWDNMCJGFKIMJP-UKRRQHHQSA-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