General Information of the Compound
| Compound ID |
CP0484665
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| Compound Name |
2-(5-(cyclopropylmethyl)-3- (3-((2,5-dimethylthiophen-3- yl)ethynyl)phenyl)-4-(3-fluoro- 4-sulfamoylbenzyl)-1H-pyrazol- 1-yl)thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C32H27FN4O4S3
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| Molecular Weight |
646.791
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| Canonical SMILES |
Cc1cc(C#Cc2cccc(c2)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c(C)s1
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| InChI |
InChI=1S/C32H27FN4O4S3/c1-18-12-23(19(2)43-18)10-8-20-4-3-5-24(13-20)30-25(14-22-9-11-29(26(33)15-22)44(34,40)41)28(16-21-6-7-21)37(36-30)32-35-27(17-42-32)31(38)39/h3-5,9,11-13,15,17,21H,6-7,14,16H2,1-2H3,(H,38,39)(H2,34,40,41)
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| InChIKey |
XVFJAHVCXWRANV-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 = 716 nM
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