General Information of the Compound
| Compound ID |
CP0944004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14F3N5O3S
|
||||||||||||||||||
| Molecular Weight |
449.414
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2nsc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)n2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14F3N5O3S/c1-28-15-6-3-11(7-16(15)29-2)17-25-18(31-26-17)13-8-12(30-19(20,21)22)4-5-14(13)27-10-23-9-24-27/h3-10H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUGDEWFMOROTHS-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