General Information of the Compound
| Compound ID |
CP0578439
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| Compound Name |
N-[(1R,3R)-3-[(3-bromo-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclopentyl]-3-methoxypropanamide
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| Structure |
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| Formula |
C23H24BrN7O2
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| Molecular Weight |
510.396
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| Canonical SMILES |
COCCC(=O)N[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C23H24BrN7O2/c1-33-10-8-20(32)27-15-4-5-16(12-15)28-23-26-13-18-21(24)30-31(22(18)29-23)17-6-7-19-14(11-17)3-2-9-25-19/h2-3,6-7,9,11,13,15-16H,4-5,8,10,12H2,1H3,(H,27,32)(H,26,28,29)/t15-,16-/m1/s1
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| InChIKey |
MOPGMSWMRUESSB-HZPDHXFCSA-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