General Information of the Compound
| Compound ID |
CP0446866
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| Compound Name |
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H26F3N3O2S
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| Molecular Weight |
453.53
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| Canonical SMILES |
CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(CC(C)C)cc1
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| InChI |
InChI=1S/C22H26F3N3O2S/c1-5-28-20-13-17(22(23,24)25)8-11-19(20)26-21(28)15(4)27-31(29,30)18-9-6-16(7-10-18)12-14(2)3/h6-11,13-15,27H,5,12H2,1-4H3/t15-/m1/s1
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| InChIKey |
GNFAMJFJZGPKJW-OAHLLOKOSA-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