General Information of the Compound
| Compound ID |
CP0488097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1-methylpiperidin-3-yl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N3O
|
||||||||||||||||||
| Molecular Weight |
357.457
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC(Cn2c3ccccc3c(-c3ccccc3)c(C#N)c2=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3O/c1-25-13-7-8-17(15-25)16-26-21-12-6-5-11-19(21)22(20(14-24)23(26)27)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13,15-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQHHWQWMINNVJW-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