General Information of the Compound
| Compound ID |
CP0253018
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| Compound Name |
2-[3-[3-(3-cyclopentyl-3-fluoroprop-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 |
C32H29F3N4O4S2
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| Molecular Weight |
654.736
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2CCCC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C32H29F3N4O4S2/c33-24(20-3-1-2-4-20)10-8-21-16-22(9-11-25(21)34)30-23(13-19-7-12-29(26(35)14-19)45(36,42)43)28(15-18-5-6-18)39(38-30)32-37-27(17-44-32)31(40)41/h7,9,11-12,14,16-18,20,24H,1-6,13,15H2,(H,40,41)(H2,36,42,43)
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| InChIKey |
LMQKTYSXDACDBA-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