General Information of the Compound
| Compound ID |
CP0382922
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(aminomethyl)-6-ethynvlquinolin-4(1H)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H10N2O
|
||||||||||||||||||
| Molecular Weight |
198.225
|
||||||||||||||||||
| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)C#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H10N2O/c1-2-8-3-4-11-10(5-8)12(15)6-9(7-13)14-11/h1,3-6H,7,13H2,(H,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LILVBJMDXLZPBC-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