General Information of the Compound
| Compound ID |
CP0488455
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| Compound Name |
2-[4-[4-(benzhydrylamino)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C30H37N7O2
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| Molecular Weight |
527.673
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)C1=O
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| InChI |
InChI=1S/C30H37N7O2/c1-21(2)37-19-24-27(29(37)39)32-30(36-17-15-35(16-18-36)20-25(38)34(3)4)33-28(24)31-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,21,26H,15-20H2,1-4H3,(H,31,32,33)
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| InChIKey |
YUCRALCIVJRUKP-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