General Information of the Compound
| Compound ID |
CP0256901
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| Compound Name |
2-(2-hydroxyethyl)-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 |
C23H21N3O6
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| Molecular Weight |
435.436
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1CCO)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H21N3O6/c1-31-21-12-19-18(10-15(21)7-8-27)24-17-9-13(3-5-16(17)23(28)25-19)14-4-6-20(26(29)30)22(11-14)32-2/h3-6,9-12,24,27H,7-8H2,1-2H3,(H,25,28)
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| InChIKey |
ZUUOGPNZOZHSJI-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