General Information of the Compound
| Compound ID |
CP0357714
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| Compound Name |
4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C27H31N7O3
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| Molecular Weight |
501.591
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
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| InChI |
InChI=1S/C27H31N7O3/c1-32-13-11-18(12-14-32)29-25(35)17-9-10-20(23(15-17)37-4)30-27-28-16-22-24(31-27)33(2)21-8-6-5-7-19(21)26(36)34(22)3/h5-10,15-16,18H,11-14H2,1-4H3,(H,29,35)(H,28,30,31)
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| InChIKey |
QRVNXVTYIYXPER-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