General Information of the Compound
| Compound ID |
CP0540078
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| Compound Name |
2-[4-[[2-(2,6-dimethylphenyl)sulfonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H26N2O4S
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| Molecular Weight |
474.582
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2c(C)cccc2C)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C27H26N2O4S/c1-18-10-9-11-19(2)27(18)34(32,33)24-15-8-7-14-22(24)16-23-20(3)29(17-25(30)31)28-26(23)21-12-5-4-6-13-21/h4-15H,16-17H2,1-3H3,(H,30,31)
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| InChIKey |
CLNKLFYIWOKQSC-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