General Information of the Compound
| Compound ID |
CP0317514
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-(3-phenylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C30H25FN4O4S2
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| Molecular Weight |
588.686
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H25FN4O4S2/c31-24-14-19(11-12-27(24)41(32,38)39)13-23-26(15-18-9-10-18)35(30-33-25(17-40-30)29(36)37)34-28(23)22-8-4-7-21(16-22)20-5-2-1-3-6-20/h1-8,11-12,14,16-18H,9-10,13,15H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
GAXHMJKXWZFJHX-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