General Information of the Compound
| Compound ID |
CP0380454
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| Compound Name |
2-[5-methyl-4-[[2-(4-methylsulfonylphenyl)sulfonylphenyl]methyl]-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H24N2O6S2
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| Molecular Weight |
524.62
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C26H24N2O6S2/c1-18-23(26(19-8-4-3-5-9-19)27-28(18)17-25(29)30)16-20-10-6-7-11-24(20)36(33,34)22-14-12-21(13-15-22)35(2,31)32/h3-15H,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
KGEXXJBUDWBOBY-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