General Information of the Compound
| Compound ID |
CP0446864
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| Compound Name |
4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C19H17F3N4O2S
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| Molecular Weight |
422.432
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| Canonical SMILES |
CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C19H17F3N4O2S/c1-3-26-17-10-14(19(20,21)22)6-9-16(17)24-18(26)12(2)25-29(27,28)15-7-4-13(11-23)5-8-15/h4-10,12,25H,3H2,1-2H3/t12-/m1/s1
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| InChIKey |
GJEMHCDKAUSJON-GFCCVEGCSA-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