General Information of the Compound
| Compound ID |
CP0445775
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| Compound Name |
N-[2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C22H17F2N3O2S
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| Molecular Weight |
425.46
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(F)c(F)c3)nc2c1
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| InChI |
InChI=1S/C22H17F2N3O2S/c1-30(28,29)27-19-5-3-2-4-16(19)15-8-10-20-21(13-15)26-22(25-20)11-7-14-6-9-17(23)18(24)12-14/h2-13,27H,1H3,(H,25,26)/b11-7+
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| InChIKey |
HXIMJNUHEWBMQU-YRNVUSSQSA-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