General Information of the Compound
| Compound ID |
CP0859167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(3-(Dimethylamino)propyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28Cl2N4S
|
||||||||||||||||||
| Molecular Weight |
415.434
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCN1CCCc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26N4S.2ClH/c1-22(2)10-5-12-23-11-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-4-13-24-18;;/h4,7-9,13-14H,3,5-6,10-12H2,1-2H3,(H2,20,21);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJBWPLMQIIERNC-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