General Information of the Compound
| Compound ID |
CP0431482
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| Compound Name |
N-[4-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]sulfamoyl]-2-methylphenyl]acetamide
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| Structure |
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| Formula |
C21H23F3N4O3S
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| Molecular Weight |
468.501
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| Canonical SMILES |
CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1
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| InChI |
InChI=1S/C21H23F3N4O3S/c1-5-28-19-11-15(21(22,23)24)6-8-18(19)26-20(28)13(3)27-32(30,31)16-7-9-17(12(2)10-16)25-14(4)29/h6-11,13,27H,5H2,1-4H3,(H,25,29)/t13-/m1/s1
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| InChIKey |
KKOPJSVSPWYFMA-CYBMUJFWSA-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