General Information of the Compound
| Compound ID |
CP0378673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,3,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16F4N2O3S
|
||||||||||||||||||
| Molecular Weight |
476.451
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2c(F)ccc(F)c2F)c2ccc(F)cc2)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16F4N2O3S/c1-31-17-5-3-4-14(20(17)32-2)23-29(22(30)18-15(25)10-11-16(26)19(18)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWQVYTYBBVOPAI-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