General Information of the Compound
| Compound ID |
CP0378671
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| Compound Name |
2-(2,3-dimethoxyphenyl)-3-[(5-fluoro-2-methylphenyl)carbonyl]-5-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C24H20F2N2O3S
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| Molecular Weight |
454.498
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| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2cc(F)ccc2C)c2ccc(F)cc2)c1OC
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| InChI |
InChI=1S/C24H20F2N2O3S/c1-14-7-10-17(26)13-19(14)23(29)28-24(18-5-4-6-20(30-2)21(18)31-3)32-22(27-28)15-8-11-16(25)12-9-15/h4-13,24H,1-3H3
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| InChIKey |
VKBIQBUYQXDRMY-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