General Information of the Compound
| Compound ID |
CP0019810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
Show/Hide
|
||||||||||||||||||
| Synonyms |
7-{2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl}-2,3,4,5,5a,9a-hexahydro-1H-3-benzazepine
CQLSAYKHANAIMX-UHFFFAOYSA-N
GSK2646264
GTPL10108
compound 44 [PMID: 30249354]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N2O2
|
||||||||||||||||||
| Molecular Weight |
374.484
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYANYGKXMNYFBX-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
Clinical Information about the Compound