General Information of the Compound
| Compound ID |
CP0305795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
417.412
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)10-28-16-9-17(29-18(16)19(24)27)26-11-25-14-7-3-4-8-15(14)26/h1-9,11H,10H2,(H2,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITAJXWHXKVYGCF-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