General Information of the Compound
| Compound ID |
CP0103446
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| Compound Name |
2-(3-hydroxy-3-methylbutyl)-3-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C26H27N3O6
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| Molecular Weight |
477.517
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1CCC(C)(C)O)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H27N3O6/c1-26(2,31)10-9-17-12-20-21(14-23(17)34-3)28-25(30)18-7-5-15(11-19(18)27-20)16-6-8-22(29(32)33)24(13-16)35-4/h5-8,11-14,27,31H,9-10H2,1-4H3,(H,28,30)
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| InChIKey |
PVTIFRYLGDRUSS-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