General Information of the Compound
| Compound ID |
CP0504749
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| Compound Name |
2-[4-[[2-(benzenesulfonyl)-5-methoxyphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H24N2O5S
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| Molecular Weight |
476.554
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| Canonical SMILES |
COc1ccc(c(Cc2c(C)n(CC(O)=O)nc2-c2ccccc2)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H24N2O5S/c1-18-23(26(19-9-5-3-6-10-19)27-28(18)17-25(29)30)16-20-15-21(33-2)13-14-24(20)34(31,32)22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
OIRLSCVFESAARL-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