General Information of the Compound
| Compound ID |
CP0479830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H12F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
355.341
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(OCCCC(=O)Nc2ncc(s2)C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H12F3N3O2S/c16-15(17,18)10-3-1-4-11(7-10)23-6-2-5-13(22)21-14-20-9-12(8-19)24-14/h1,3-4,7,9H,2,5-6H2,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIIJTSQACVTWQL-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