General Information of the Compound
| Compound ID |
CP0475821
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| Compound Name |
4-(benzhydrylamino)-2-(4-methylpiperazin-1-yl)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C27H32N6O
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| Molecular Weight |
456.594
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(C)CC2)C1=O
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| InChI |
InChI=1S/C27H32N6O/c1-19(2)33-18-22-24(26(33)34)29-27(32-16-14-31(3)15-17-32)30-25(22)28-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,14-18H2,1-3H3,(H,28,29,30)
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| InChIKey |
CYDJGGOXXCSUBQ-UHFFFAOYSA-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