General Information of the Compound
| Compound ID |
CP0860804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11H-Dibenzo[b,e]azepine-10-carboxylic acid(3-methoxy-propyl)-amide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClN2O2
|
||||||||||||||||||
| Molecular Weight |
344.842
|
||||||||||||||||||
| Canonical SMILES |
COCCCNC(=O)c1cccc2c1Cc1ccccc1N=C2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N2O2.ClH/c1-23-11-5-10-20-19(22)16-8-4-7-15-13-21-18-9-3-2-6-14(18)12-17(15)16;/h2-4,6-9,13H,5,10-12H2,1H3,(H,20,22);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHLDOKSWGFAETO-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