General Information of the Compound
| Compound ID |
CP0483790
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| Compound Name |
2-[4-[[2-(3,4-dimethylphenyl)sulfinylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H26N2O3S
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| Molecular Weight |
458.583
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)c2ccc(C)c(C)c2)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C27H26N2O3S/c1-18-13-14-23(15-19(18)2)33(32)25-12-8-7-11-22(25)16-24-20(3)29(17-26(30)31)28-27(24)21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3,(H,30,31)
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| InChIKey |
AVRAYEVXVGEERE-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