General Information of the Compound
| Compound ID |
CP0509485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,4-difluorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(3-fluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
458.461
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2cccc(F)c2)c2ccc(F)c(F)c2)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17F3N2O3S/c1-30-19-8-4-7-16(20(19)31-2)23-28(22(29)14-5-3-6-15(24)11-14)27-21(32-23)13-9-10-17(25)18(26)12-13/h3-12,23H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMVRODFTWKZWCS-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta