General Information of the Compound
| Compound ID |
CP0524025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-phenoxyethyl)-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N3O2
|
||||||||||||||||||
| Molecular Weight |
285.347
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc2CCNCCc2nn1CCOc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N3O2/c20-16-12-13-6-8-17-9-7-15(13)18-19(16)10-11-21-14-4-2-1-3-5-14/h1-5,12,17H,6-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAOXZYRLTQHWIC-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