General Information of the Compound
| Compound ID |
CP0492519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(2-methylpropylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17F3N2OS
|
||||||||||||||||||
| Molecular Weight |
342.386
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CNc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17F3N2OS/c1-10(2)9-20-12-6-11(16(17,18)19)7-13(8-12)21-15(22)14-4-3-5-23-14/h3-8,10,20H,9H2,1-2H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQIGJCZBZXSONM-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