General Information of the Compound
| Compound ID |
CP0258245
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| Compound Name |
2-(3-([1,1'-biphenyl]- 3-yl)-5-((2,2- difluorocyclopropyl) methyl)-4-(4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid
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| Structure |
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| Formula |
C30H24F2N4O4S2
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| Molecular Weight |
606.676
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3(F)F)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H24F2N4O4S2/c31-30(32)16-22(30)15-26-24(13-18-9-11-23(12-10-18)42(33,39)40)27(35-36(26)29-34-25(17-41-29)28(37)38)21-8-4-7-20(14-21)19-5-2-1-3-6-19/h1-12,14,17,22H,13,15-16H2,(H,37,38)(H2,33,39,40)
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| InChIKey |
MMETUHAMLMUZQF-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