General Information of the Compound
| Compound ID |
CP0565395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Furan-2-yl-3,4-dihydro-isoquinolin-1-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H12N2O
|
||||||||||||||||||
| Molecular Weight |
212.252
|
||||||||||||||||||
| Canonical SMILES |
NC1=NC(Cc2ccccc12)c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H12N2O/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2,(H2,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHTRUYAUQNWPBC-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: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible