General Information of the Compound
| Compound ID |
CP0258246
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| Compound Name |
2-(3-([1,1'-biphenyl]- difluorocyclopropyl)- 4-(4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid
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| Structure |
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| Formula |
C29H22F2N4O4S2
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| Molecular Weight |
592.649
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2(F)F)-c2cccc(c2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H22F2N4O4S2/c30-29(31)15-23(29)26-22(13-17-9-11-21(12-10-17)41(32,38)39)25(34-35(26)28-33-24(16-40-28)27(36)37)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14,16,23H,13,15H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
OSHNOHHOVPSUNZ-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000569 | A-673 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 24440 nM
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TI
LI
LO
TS
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