General Information of the Compound
| Compound ID |
CP0454235
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| Compound Name |
2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C22H13F5N2O2S
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| Molecular Weight |
464.415
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| Canonical SMILES |
COc1cc(F)ccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H13F5N2O2S/c1-31-18-10-13(24)6-7-15(18)22-29(21(30)19-16(26)8-14(25)9-17(19)27)28-20(32-22)11-2-4-12(23)5-3-11/h2-10,22H,1H3
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| InChIKey |
SANUVDQUZBJEFO-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