General Information of the Compound
| Compound ID |
CP0537993
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phenyl)- 4-(4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid;
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| Structure |
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| Formula |
C30H27N5O4S2
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| Molecular Weight |
585.711
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)
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| InChIKey |
QYIDJRLVIHGDJX-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