General Information of the Compound
| Compound ID |
CP0057144
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| Compound Name |
2-[4-[[2-(benzenesulfonyl)phenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C25H22N2O4S
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| Molecular Weight |
446.528
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C25H22N2O4S/c1-18-22(25(19-10-4-2-5-11-19)26-27(18)17-24(28)29)16-20-12-8-9-15-23(20)32(30,31)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)
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| InChIKey |
VRKJPABSKAXYBK-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