General Information of the Compound
| Compound ID |
CP0906811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Fluorophenyl)-N-methyl-N-(prop-2-yn-1-yl)prop-2-en-1-amine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H15ClFN
|
||||||||||||||||||
| Molecular Weight |
239.721
|
||||||||||||||||||
| Canonical SMILES |
C#CCN(C)CC(=C)c1ccc(F)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H14FN.ClH/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12;/h1,5-8H,2,9-10H2,3H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMQNKOHHICJYEW-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B