General Information of the Compound
| Compound ID |
CP0136930
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| Compound Name |
2-methoxy-9-(3-methoxy-4-nitrophenyl)-N,N-dimethyl-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
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| Structure |
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| Formula |
C24H22N4O6
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| Molecular Weight |
462.462
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| Canonical SMILES |
COc1cc2Nc3cc(ccc3C(=O)Nc2cc1C(=O)N(C)C)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C24H22N4O6/c1-27(2)24(30)16-11-18-19(12-21(16)33-3)25-17-9-13(5-7-15(17)23(29)26-18)14-6-8-20(28(31)32)22(10-14)34-4/h5-12,25H,1-4H3,(H,26,29)
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| InChIKey |
OQMQLGVTGVOPFY-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