General Information of the Compound
| Compound ID |
CP0396213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O
|
||||||||||||||||||
| Molecular Weight |
396.494
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC[C@@H]1C[C@H]1CN1CCc2ccc(cc2C1)C#N)c1ccnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O/c26-13-17-5-6-18-8-10-29(15-20(18)11-17)16-21-12-19(21)14-28-25(30)23-7-9-27-24-4-2-1-3-22(23)24/h1-7,9,11,19,21H,8,10,12,14-16H2,(H,28,30)/t19-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBUWBWVXKLACCD-FPOVZHCZSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor