General Information of the Compound
| Compound ID |
CP0527997
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| Compound Name |
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone
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| Structure |
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| Formula |
C17H15N3O4
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| Molecular Weight |
325.324
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| Canonical SMILES |
CC(O)c1nc2ccccc2n1CC(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H15N3O4/c1-11(21)17-18-14-4-2-3-5-15(14)19(17)10-16(22)12-6-8-13(9-7-12)20(23)24/h2-9,11,21H,10H2,1H3
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| InChIKey |
HJCMUYCNEHDUSS-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