General Information of the Compound
| Compound ID |
CP0514955
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| Compound Name |
2-(3-([1,1''-biphenyl]- 3-yl)-5-(2- cyclopropylethyl)-4- (4-sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid (M + H)+ = 585
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| Structure |
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| Formula |
C31H28N4O4S2
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| Molecular Weight |
584.723
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CCC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C31H28N4O4S2/c32-41(38,39)25-14-11-21(12-15-25)17-26-28(16-13-20-9-10-20)35(31-33-27(19-40-31)30(36)37)34-29(26)24-8-4-7-23(18-24)22-5-2-1-3-6-22/h1-8,11-12,14-15,18-20H,9-10,13,16-17H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
SHIZGYSRNOWOJP-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 = 1959 nM
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TI
LI
LO
TS
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