General Information of the Compound
| Compound ID |
CP0966519
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| Compound Name |
Trans-3-Bromo-N-(3-(1H-imidazol-2-yl)cyclopentyl)-1-(6-quinolyl)pyrazolo[3,4-d]pyrimidin-6-amine
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| Structure |
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| Formula |
C22H19BrN8
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| Molecular Weight |
475.354
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| Canonical SMILES |
Brc1nn(-c2ccc3ncccc3c2)c2nc(N[C@@H]3CC[C@@H](c4ncc[nH]4)C3)ncc12
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| InChI |
InChI=1S/C22H19BrN8/c23-19-17-12-27-22(28-15-4-3-14(10-15)20-25-8-9-26-20)29-21(17)31(30-19)16-5-6-18-13(11-16)2-1-7-24-18/h1-2,5-9,11-12,14-15H,3-4,10H2,(H,25,26)(H,27,28,29)/t14-,15-/m1/s1
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| InChIKey |
MAEKFAHNWPAWRK-HUUCEWRRSA-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