General Information of the Compound
| Compound ID |
CP0509099
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(cyclohexylmethyl)sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C20H20ClF3N2O4S
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| Molecular Weight |
476.904
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCCC1)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H20ClF3N2O4S/c21-17-10-15(20(22,23)24)11-25-18(17)26(12-13-4-2-1-3-5-13)31(29,30)16-8-6-14(7-9-16)19(27)28/h6-11,13H,1-5,12H2,(H,27,28)
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| InChIKey |
MOJQSYINFLURJD-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