General Information of the Compound
| Compound ID |
CP0550025
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| Compound Name |
2-[4-[[2-(benzenesulfonyl)-4-methoxycarbonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H24N2O6S
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| Molecular Weight |
504.564
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| Canonical SMILES |
COC(=O)c1ccc(Cc2c(C)n(CC(O)=O)nc2-c2ccccc2)c(c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H24N2O6S/c1-18-23(26(19-9-5-3-6-10-19)28-29(18)17-25(30)31)15-20-13-14-21(27(32)35-2)16-24(20)36(33,34)22-11-7-4-8-12-22/h3-14,16H,15,17H2,1-2H3,(H,30,31)
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| InChIKey |
YCOQQUJZELKQAK-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