General Information of the Compound
| Compound ID |
CP0921536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-phenoxy-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClNO
|
||||||||||||||||||
| Molecular Weight |
351.877
|
||||||||||||||||||
| Canonical SMILES |
Cl.c1ccc(Oc2ccc3c(c2)C(c2ccccc2)CNCC3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21NO.ClH/c1-3-7-17(8-4-1)22-16-23-14-13-18-11-12-20(15-21(18)22)24-19-9-5-2-6-10-19;/h1-12,15,22-23H,13-14,16H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHTLQJGQVIMNML-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1