General Information of the Compound
| Compound ID |
CP0456598
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| Compound Name |
N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylbenzimidazol-4-yl]acetamide
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| Structure |
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| Formula |
C24H21F3N4O3S
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| Molecular Weight |
502.518
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| Canonical SMILES |
CC(=O)Nc1cc(cc2nc(C)n(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C24H21F3N4O3S/c1-14-28-22-12-19(35(33,34)30-21-8-7-18(26)11-20(21)27)13-23(29-15(2)32)24(22)31(14)10-9-16-3-5-17(25)6-4-16/h3-8,11-13,30H,9-10H2,1-2H3,(H,29,32)
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| InChIKey |
YOJKMHNBQNMZME-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