General Information of the Compound
| Compound ID |
CP0477743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N3O
|
||||||||||||||||||
| Molecular Weight |
269.348
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Cc1cc2CCNCCc2nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N3O/c1-20-16-5-3-2-4-13(16)11-14-10-12-6-8-17-9-7-15(12)19-18-14/h2-5,10,17H,6-9,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPIKOZDUDSBIBV-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