General Information of the Compound
| Compound ID |
CP0446306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N2O
|
||||||||||||||||||
| Molecular Weight |
322.452
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)16-22-10-4-7-19-15-21(9-8-20(19)17-22)23-11-13-24-14-12-23/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPCZXDLYWNNYFY-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