General Information of the Compound
| Compound ID |
CP0497115
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| Compound Name |
5-(4-chlorophenyl)-3-[(2,4-difluorophenyl)carbonyl]-2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C23H17ClF2N2O3S
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| Molecular Weight |
474.916
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| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)c1OC
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| InChI |
InChI=1S/C23H17ClF2N2O3S/c1-30-19-5-3-4-17(20(19)31-2)23-28(22(29)16-11-10-15(25)12-18(16)26)27-21(32-23)13-6-8-14(24)9-7-13/h3-12,23H,1-2H3
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| InChIKey |
KGAJHUFABOMAGA-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