General Information of the Compound
| Compound ID |
CP0008818
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| Compound Name |
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
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| Structure |
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| Formula |
C21H14ClF3N2O2S2
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| Molecular Weight |
482.936
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H14ClF3N2O2S2/c1-31(28,29)14-6-4-5-13(11-14)18-9-10-19(30-18)17-12-20(21(23,24)25)26-27(17)16-8-3-2-7-15(16)22/h2-12H,1H3
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| InChIKey |
DIRKHQVAVLSYMA-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta