General Information of the Compound
| Compound ID |
CP0339401
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| Compound Name |
2-(5,6-dimethylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone
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| Structure |
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| Formula |
C17H15N3O3
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| Molecular Weight |
309.325
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| Canonical SMILES |
Cc1cc2ncn(CC(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1C
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| InChI |
InChI=1S/C17H15N3O3/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-17(21)13-3-5-14(6-4-13)20(22)23/h3-8,10H,9H2,1-2H3
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| InChIKey |
JCVHXSJLNWSJML-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