General Information of the Compound
| Compound ID |
CP0838460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Ethyl-azepan-(2Z)-ylideneamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C8H17ClN2
|
||||||||||||||||||
| Molecular Weight |
176.691
|
||||||||||||||||||
| Canonical SMILES |
CCC1CCCCN=C1N.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C8H16N2.ClH/c1-2-7-5-3-4-6-10-8(7)9;/h7H,2-6H2,1H3,(H2,9,10);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAYRIVWAKATUQZ-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