General Information of the Compound
| Compound ID |
CP0481339
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| Compound Name |
4-[benzyl-[3-cyano-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C21H14F3N3O4S
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| Molecular Weight |
461.421
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncc(cc1C#N)C(F)(F)F
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| InChI |
InChI=1S/C21H14F3N3O4S/c22-21(23,24)17-10-16(11-25)19(26-12-17)27(13-14-4-2-1-3-5-14)32(30,31)18-8-6-15(7-9-18)20(28)29/h1-10,12H,13H2,(H,28,29)
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| InChIKey |
KVJUISJCKXPJSO-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