General Information of the Compound
| Compound ID |
CP0427880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(cyclohexylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17F3N2O
|
||||||||||||||||||
| Molecular Weight |
310.319
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCCC3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17F3N2O/c17-16(18,19)13-9-15(22)21-14-8-11(6-7-12(13)14)20-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFHYFIYBILOOPW-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