General Information of the Compound
| Compound ID |
CP0375585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methoxy-6,7,9,13b-tetrahydro-5H-isoindolo[1,2-a][2]benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19NO
|
||||||||||||||||||
| Molecular Weight |
265.356
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C3N(Cc4ccccc34)CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19NO/c1-20-15-8-9-17-13(11-15)6-4-10-19-12-14-5-2-3-7-16(14)18(17)19/h2-3,5,7-9,11,18H,4,6,10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JATYIIXSEHMITM-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor