General Information of the Compound
| Compound ID |
CP0483617
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| Compound Name |
4-[(4-acetamidophenyl)methyl-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C22H17ClF3N3O5S
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| Molecular Weight |
527.908
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| Canonical SMILES |
CC(=O)Nc1ccc(CN(c2ncc(cc2Cl)C(F)(F)F)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C22H17ClF3N3O5S/c1-13(30)28-17-6-2-14(3-7-17)12-29(20-19(23)10-16(11-27-20)22(24,25)26)35(33,34)18-8-4-15(5-9-18)21(31)32/h2-11H,12H2,1H3,(H,28,30)(H,31,32)
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| InChIKey |
OJPQDNHGSBTGJE-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