General Information of the Compound
| Compound ID |
CP0445521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-(piperidin-1-yl)hexyl)-2H-isoindole-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N3
|
||||||||||||||||||
| Molecular Weight |
309.457
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1n(CCCCCCN2CCCCC2)cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N3/c21-16-20-19-11-5-4-10-18(19)17-23(20)15-9-2-1-6-12-22-13-7-3-8-14-22/h4-5,10-11,17H,1-3,6-9,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWORTRRLIZQXFH-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