General Information of the Compound
| Compound ID |
CP0539180
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| Compound Name |
2-[3-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C29H24F2N4O4S2
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| Molecular Weight |
594.665
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C29H24F2N4O4S2/c30-22-9-8-20(14-19(22)7-5-16-1-2-16)27-21(11-18-6-10-26(23(31)12-18)41(32,38)39)25(13-17-3-4-17)35(34-27)29-33-24(15-40-29)28(36)37/h6,8-10,12,14-17H,1-4,11,13H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
OONOAMLSSZODNO-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