General Information of the Compound
| Compound ID |
CP0438891
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| Compound Name |
(E)-4-(3-chlorophenyl)-8-methyl-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C16H13ClN2O
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| Molecular Weight |
284.746
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| Canonical SMILES |
Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H13ClN2O/c1-10-5-6-13-15(7-10)19-16(20)9-14(18-13)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,19,20)
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| InChIKey |
ISECIPVAVBYNLZ-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