General Information of the Compound
| Compound ID |
CP0270494
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| Compound Name |
8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e][1,4]-diazepin-11(10H)-one
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| Structure |
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| Formula |
C21H19N3O3
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| Molecular Weight |
361.401
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| Canonical SMILES |
COc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
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| InChI |
InChI=1S/C21H19N3O3/c1-26-14-5-8-17-19(11-14)24-21(25)15-6-3-12(9-18(15)23-17)13-4-7-16(22)20(10-13)27-2/h3-11,23H,22H2,1-2H3,(H,24,25)
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| InChIKey |
IKBCATXQFWJEDR-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