General Information of the Compound
| Compound ID |
CP0556310
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(3-phenylpropyl)sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C22H18ClF3N2O4S
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| Molecular Weight |
498.91
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H18ClF3N2O4S/c23-19-13-17(22(24,25)26)14-27-20(19)28(12-4-7-15-5-2-1-3-6-15)33(31,32)18-10-8-16(9-11-18)21(29)30/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,29,30)
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| InChIKey |
ONCWBUXXMWVYOW-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