General Information of the Compound
| Compound ID |
CP0409850
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| Compound Name |
2-[1-[1-[2-(benzenesulfonyl)phenyl]ethyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C26H24N2O4S
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| Molecular Weight |
460.555
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| Canonical SMILES |
CC(c1ccccc1S(=O)(=O)c1ccccc1)n1nc(c(CC(O)=O)c1C)-c1ccccc1
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| InChI |
InChI=1S/C26H24N2O4S/c1-18(22-15-9-10-16-24(22)33(31,32)21-13-7-4-8-14-21)28-19(2)23(17-25(29)30)26(27-28)20-11-5-3-6-12-20/h3-16,18H,17H2,1-2H3,(H,29,30)
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| InChIKey |
VZERRHDOKIILDL-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