General Information of the Compound
| Compound ID |
CP0144065
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| Compound Name |
2-[3-(3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]-5-(2,2,2-trifluoroethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C28H21F3N4O4S2
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| Molecular Weight |
598.628
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC(F)(F)F)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C28H21F3N4O4S2/c29-28(30,31)15-24-22(13-17-9-11-21(12-10-17)41(32,38)39)25(34-35(24)27-33-23(16-40-27)26(36)37)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14,16H,13,15H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
UVLUZKSKKZVGDP-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
Protein ID: PT02629, L-lactate dehydrogenase A chain