General Information of the Compound
| Compound ID |
CP0469834
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| Compound Name |
2-[4-[[2-(benzenesulfonyl)phenyl]methyl]-5-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H21F3N2O4S
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| Molecular Weight |
514.525
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(nn1CC(O)=O)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N2O4S/c1-17-22(15-18-8-5-6-13-23(18)36(34,35)21-11-3-2-4-12-21)25(30-31(17)16-24(32)33)19-9-7-10-20(14-19)26(27,28)29/h2-14H,15-16H2,1H3,(H,32,33)
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| InChIKey |
YHLPFCXVIMKKRH-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