General Information of the Compound
| Compound ID |
CP0480598
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| Compound Name |
4-[(3,5-dichloropyridin-2-yl)-[[4-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C20H13Cl2F3N2O4S
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| Molecular Weight |
505.301
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(F)(F)F)c1ncc(Cl)cc1Cl
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| InChI |
InChI=1S/C20H13Cl2F3N2O4S/c21-15-9-17(22)18(26-10-15)27(11-12-1-5-14(6-2-12)20(23,24)25)32(30,31)16-7-3-13(4-8-16)19(28)29/h1-10H,11H2,(H,28,29)
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| InChIKey |
CMSUMMIXTLRWFY-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