General Information of the Compound
| Compound ID |
CP0382299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(1-butylpiperidin-4-yl)-methylamino]methyl]-4-chlorobenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26ClN3
|
||||||||||||||||||
| Molecular Weight |
319.88
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26ClN3/c1-3-4-9-22-10-7-18(8-11-22)21(2)14-16-12-17(19)6-5-15(16)13-20/h5-6,12,18H,3-4,7-11,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPRYXFZYUOZSQO-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
Protein ID: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible