General Information of the Compound
| Compound ID |
CP0528265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-benzyl-4-methyl-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N3
|
||||||||||||||||||
| Molecular Weight |
253.349
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cc2ccccc2)nnc2CCNCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N3/c1-12-14-7-9-17-10-8-15(14)18-19-16(12)11-13-5-3-2-4-6-13/h2-6,17H,7-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHEOCJPWYJUTTB-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