General Information of the Compound
| Compound ID |
CP0362435
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[4-fluoro-3-(2-thiophen-2-ylethynyl)phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C30H22F2N4O4S3
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| Molecular Weight |
636.727
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#Cc2cccs2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H22F2N4O4S3/c31-23-9-7-20(15-19(23)6-8-21-2-1-11-41-21)28-22(12-18-5-10-27(24(32)13-18)43(33,39)40)26(14-17-3-4-17)36(35-28)30-34-25(16-42-30)29(37)38/h1-2,5,7,9-11,13,15-17H,3-4,12,14H2,(H,37,38)(H2,33,39,40)
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| InChIKey |
WGFNHVCWSDXXPH-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