General Information of the Compound
| Compound ID |
CP0556305
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| Compound Name |
2-[1-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C26H23FN2O4S
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| Molecular Weight |
478.545
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1C(c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
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| InChI |
InChI=1S/C26H23FN2O4S/c1-17-23(16-24(30)31)25(18-6-4-3-5-7-18)28-29(17)26(19-8-12-21(27)13-9-19)20-10-14-22(15-11-20)34(2,32)33/h3-15,26H,16H2,1-2H3,(H,30,31)
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| InChIKey |
HCNMNAQGOGZNKN-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