General Information of the Compound
| Compound ID |
CP0454300
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| Compound Name |
4-[2-(2-acetylbenzimidazol-1-yl)acetyl]benzonitrile
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| Structure |
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| Formula |
C18H13N3O2
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| Molecular Weight |
303.321
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| Canonical SMILES |
CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H13N3O2/c1-12(22)18-20-15-4-2-3-5-16(15)21(18)11-17(23)14-8-6-13(10-19)7-9-14/h2-9H,11H2,1H3
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| InChIKey |
HRFGCNUGTNJXMV-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