General Information of the Compound
| Compound ID |
CP0554940
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[[4-(1-cyanocyclopropyl)phenyl]methyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C24H17ClF3N3O4S
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| Molecular Weight |
535.931
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C1(CC1)C#N)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H17ClF3N3O4S/c25-20-11-18(24(26,27)28)12-30-21(20)31(36(34,35)19-7-3-16(4-8-19)22(32)33)13-15-1-5-17(6-2-15)23(14-29)9-10-23/h1-8,11-12H,9-10,13H2,(H,32,33)
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| InChIKey |
SNTSFXKELXMDNB-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