General Information of the Compound
| Compound ID |
CP0046780
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| Compound Name |
[5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylphenyl]methanol
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| Structure |
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| Formula |
C19H17F3N2O4S
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| Molecular Weight |
426.416
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(nn1-c1ccc(c(CO)c1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N2O4S/c1-28-15-6-3-12(4-7-15)16-10-18(19(20,21)22)23-24(16)14-5-8-17(29(2,26)27)13(9-14)11-25/h3-10,25H,11H2,1-2H3
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| InChIKey |
GVPMWHQIUGWDCS-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