General Information of the Compound
| Compound ID |
CP0538517
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| Compound Name |
2-[5-(2-cyclopropylethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-(2-spiro[2.2]pentan-2-ylethynyl)phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C32H29FN4O4S2
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| Molecular Weight |
616.74
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CCC3CC3)n(nc2-c2cccc(c2)C#CC2CC22CC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C32H29FN4O4S2/c33-25-16-21(8-11-28(25)43(34,40)41)15-24-27(10-7-19-4-5-19)37(31-35-26(18-42-31)30(38)39)36-29(24)22-3-1-2-20(14-22)6-9-23-17-32(23)12-13-32/h1-3,8,11,14,16,18-19,23H,4-5,7,10,12-13,15,17H2,(H,38,39)(H2,34,40,41)
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| InChIKey |
IWLRASIOXMYZEJ-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