General Information of the Compound
| Compound ID |
CP0501808
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| Compound Name |
(E)-3-(7-methyl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile
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| Structure |
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| Formula |
C17H13N3O
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| Molecular Weight |
275.311
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| Canonical SMILES |
Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C17H13N3O/c1-11-5-6-14-16(7-11)20-17(21)9-15(19-14)13-4-2-3-12(8-13)10-18/h2-8H,9H2,1H3,(H,20,21)
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| InChIKey |
FYMZUWKUNBPAQE-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