General Information of the Compound
| Compound ID |
CP0490501
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| Compound Name |
2-[2-(difluoromethoxy)phenyl]-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 |
C22H12F6N2O2S
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| Molecular Weight |
482.405
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| Canonical SMILES |
FC(F)Oc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H12F6N2O2S/c23-12-7-5-11(6-8-12)19-29-30(20(31)18-15(25)9-13(24)10-16(18)26)21(33-19)14-3-1-2-4-17(14)32-22(27)28/h1-10,21-22H
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| InChIKey |
NEYYMHOBVMYCFZ-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