General Information of the Compound
| Compound ID |
CP0256900
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| Compound Name |
methyl 2-methoxy-9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate
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| Structure |
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| Formula |
C23H19N3O7
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| Molecular Weight |
449.419
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| Canonical SMILES |
COC(=O)c1cc2NC(=O)c3ccc(cc3Nc2cc1OC)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H19N3O7/c1-31-20-11-18-17(10-15(20)23(28)33-3)25-22(27)14-6-4-12(8-16(14)24-18)13-5-7-19(26(29)30)21(9-13)32-2/h4-11,24H,1-3H3,(H,25,27)
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| InChIKey |
LBQSENNSTBCYSO-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