General Information of the Compound
| Compound ID |
CP0867193
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(piperidin-4-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)thiophene-2-carboximidamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H28Cl2N4S
|
||||||||||||||||||
| Molecular Weight |
427.445
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(c1)CCCCN2C1CCNCC1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N4S.2ClH/c21-20(19-5-3-13-25-19)23-16-6-7-18-15(14-16)4-1-2-12-24(18)17-8-10-22-11-9-17;;/h3,5-7,13-14,17,22H,1-2,4,8-12H2,(H2,21,23);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXYNJBDJXJKGEY-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