General Information of the Compound
| Compound ID |
CP0258272
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]ethynyl]phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C31H22F4N4O4S3
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| Molecular Weight |
686.734
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)C#Cc2ccc(s2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C31H22F4N4O4S3/c32-23-14-19(7-10-26(23)46(36,42)43)13-22-25(15-18-4-5-18)39(30-37-24(16-44-30)29(40)41)38-28(22)20-3-1-2-17(12-20)6-8-21-9-11-27(45-21)31(33,34)35/h1-3,7,9-12,14,16,18H,4-5,13,15H2,(H,40,41)(H2,36,42,43)
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| InChIKey |
VHHHALBEJUXAAW-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