General Information of the Compound
| Compound ID |
CP0426685
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| Compound Name |
3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C19H19F3N2O4S
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| Molecular Weight |
428.432
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N2O4S/c20-19(21,22)14-7-8-17(24-9-2-1-3-10-24)16(12-14)23-29(27,28)15-6-4-5-13(11-15)18(25)26/h4-8,11-12,23H,1-3,9-10H2,(H,25,26)
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| InChIKey |
TZCSQVCSJPQJGT-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