General Information of the Compound
| Compound ID |
CP0086384
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| Compound Name |
2-[1-[[2-(benzenesulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C20H20N2O4S
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| Molecular Weight |
384.457
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| Canonical SMILES |
Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C20H20N2O4S/c1-14-18(12-20(23)24)15(2)22(21-14)13-16-8-6-7-11-19(16)27(25,26)17-9-4-3-5-10-17/h3-11H,12-13H2,1-2H3,(H,23,24)
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| InChIKey |
STAAABGFPYEVCS-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