General Information of the Compound
| Compound ID |
CP0195831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(azepan-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26F3N3O
|
||||||||||||||||||
| Molecular Weight |
441.497
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F3N3O/c26-25(27,28)20-9-5-18(6-10-20)7-14-24(32)29-21-11-12-22-19(17-21)8-13-23(30-22)31-15-3-1-2-4-16-31/h5-6,8-13,17H,1-4,7,14-16H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEMAZIYLKBENKU-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