General Information of the Compound
| Compound ID |
CP0315640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]quinolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26F3NO2
|
||||||||||||||||||
| Molecular Weight |
429.482
|
||||||||||||||||||
| Canonical SMILES |
CCC1(CC(O)(Cn2ccc(=O)c3ccccc23)C(F)(F)F)CCCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F3NO2/c1-2-23(14-7-9-18-8-3-5-11-20(18)23)16-24(31,25(26,27)28)17-29-15-13-22(30)19-10-4-6-12-21(19)29/h3-6,8,10-13,15,31H,2,7,9,14,16-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUKRFHNVKSXPBK-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