General Information of the Compound
| Compound ID |
CP0417196
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| Compound Name |
2-[4-[[2-(benzenesulfonyl)phenyl]methyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C25H22N2O5S
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| Molecular Weight |
462.527
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)=O
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| InChI |
InChI=1S/C25H22N2O5S/c1-18-22(25(30)27(26(18)17-24(28)29)20-11-4-2-5-12-20)16-19-10-8-9-15-23(19)33(31,32)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)
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| InChIKey |
NLHPBDDTICDPLK-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