General Information of the Compound
| Compound ID |
CP0539178
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| Compound Name |
2-[5-(2-cyclopropylethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-[3-(1-methylcyclopropyl)prop-1-ynyl]phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C32H31FN4O4S2
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| Molecular Weight |
618.756
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| Canonical SMILES |
CC1(CC#Cc2cccc(c2)-c2nn(c(CCC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)CC1
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| InChI |
InChI=1S/C32H31FN4O4S2/c1-32(14-15-32)13-3-5-21-4-2-6-23(16-21)29-24(17-22-10-12-28(25(33)18-22)43(34,40)41)27(11-9-20-7-8-20)37(36-29)31-35-26(19-42-31)30(38)39/h2,4,6,10,12,16,18-20H,7-9,11,13-15,17H2,1H3,(H,38,39)(H2,34,40,41)
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| InChIKey |
JZGSHWWLWZLYBX-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 = 590 nM
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TI
LI
LO
TS
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