General Information of the Compound
| Compound ID |
CP0375244
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(pyridin-2-ylmethyl)sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C19H13ClF3N3O4S
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| Molecular Weight |
471.844
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H13ClF3N3O4S/c20-16-9-13(19(21,22)23)10-25-17(16)26(11-14-3-1-2-8-24-14)31(29,30)15-6-4-12(5-7-15)18(27)28/h1-10H,11H2,(H,27,28)
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| InChIKey |
BAMDTQUHWHILQS-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