General Information of the Compound
| Compound ID |
CP0511002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-methylbutyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O
|
||||||||||||||||||
| Molecular Weight |
349.478
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O/c1-17(2)8-12-25-15-11-21(20(16-23)22(25)26)24-13-9-19(10-14-24)18-6-4-3-5-7-18/h3-7,11,15,17,19H,8-10,12-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEVUCHLBYLYULX-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