General Information of the Compound
| Compound ID |
CP0354426
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| Compound Name |
2-[3-[3-(3-cyclopropylbut-1-ynyl)phenyl]-5-(2-cyclopropylethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]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 |
CC(C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O)C1CC1
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| InChI |
InChI=1S/C32H31FN4O4S2/c1-19(23-11-12-23)5-6-21-3-2-4-24(15-21)30-25(16-22-10-14-29(26(33)17-22)43(34,40)41)28(13-9-20-7-8-20)37(36-30)32-35-27(18-42-32)31(38)39/h2-4,10,14-15,17-20,23H,7-9,11-13,16H2,1H3,(H,38,39)(H2,34,40,41)
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| InChIKey |
RPIOPHJODVNRMH-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