General Information of the Compound
| Compound ID |
CP0422380
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| Compound Name |
3-[3-methoxy-9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C26H26N4O6
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| Molecular Weight |
490.516
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1CCC(=O)N(C)C)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H26N4O6/c1-29(2)25(31)10-7-17-12-20-21(14-23(17)35-3)28-26(32)18-8-5-15(11-19(18)27-20)16-6-9-22(30(33)34)24(13-16)36-4/h5-6,8-9,11-14,27H,7,10H2,1-4H3,(H,28,32)
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| InChIKey |
AGRVZUBNGZHHLY-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