General Information of the Compound
| Compound ID |
CP0551828
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| Compound Name |
2-[4-[[2-(benzenesulfonyl)-5-fluorophenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C25H21FN2O4S
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| Molecular Weight |
464.518
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| Canonical SMILES |
Cc1c(Cc2cc(F)ccc2S(=O)(=O)c2ccccc2)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C25H21FN2O4S/c1-17-22(25(18-8-4-2-5-9-18)27-28(17)16-24(29)30)15-19-14-20(26)12-13-23(19)33(31,32)21-10-6-3-7-11-21/h2-14H,15-16H2,1H3,(H,29,30)
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| InChIKey |
GZGPSHQRCLNLGN-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