General Information of the Compound
| Compound ID |
CP0258266
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| Compound Name |
2-[3-[3-(3-cyclopentylprop-1-ynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C32H30F2N4O4S2
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| Molecular Weight |
636.746
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCC2CCCC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C32H30F2N4O4S2/c33-25-12-11-23(17-22(25)7-3-6-19-4-1-2-5-19)30-24(14-21-10-13-29(26(34)15-21)44(35,41)42)28(16-20-8-9-20)38(37-30)32-36-27(18-43-32)31(39)40/h10-13,15,17-20H,1-2,4-6,8-9,14,16H2,(H,39,40)(H2,35,41,42)
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| InChIKey |
QSEWNTOBSWZCKU-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 = 939 nM
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TI
LI
LO
TS
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