General Information of the Compound
| Compound ID |
CP0504487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-(Pyridin-2-yl)-7,8-dihydro-4H-oxazolo[4,5-c]azepin-5(6H)-yl)benzonitril
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4O
|
||||||||||||||||||
| Molecular Weight |
316.364
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cccc(c1)N1CCCc2oc(nc2C1)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4O/c20-12-14-5-3-6-15(11-14)23-10-4-8-18-17(13-23)22-19(24-18)16-7-1-2-9-21-16/h1-3,5-7,9,11H,4,8,10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUXZOHKLYLUPRZ-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