General Information of the Compound
| Compound ID |
CP0479545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11H-dibenzo[b,e]azepine-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10N2
|
||||||||||||||||||
| Molecular Weight |
218.259
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc2Cc3ccccc3N=Cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10N2/c16-9-11-5-6-12-8-13-3-1-2-4-15(13)17-10-14(12)7-11/h1-7,10H,8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWPBMRVJDVATFV-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