General Information of the Compound
| Compound ID |
CP0490416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-2-[[[1-(cyclopropylmethyl)piperidin-4-yl]-methylamino]methyl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24ClN3
|
||||||||||||||||||
| Molecular Weight |
317.864
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(Cl)ccc1C#N)C1CCN(CC2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24ClN3/c1-21(13-16-10-17(19)5-4-15(16)11-20)18-6-8-22(9-7-18)12-14-2-3-14/h4-5,10,14,18H,2-3,6-9,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
REHHUDOBBSGSPZ-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