General Information of the Compound
Compound ID
CP0410628
Compound Name
5-[(8-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
    Show/Hide
Structure
Formula
C14H15FN2
Molecular Weight
230.286
Canonical SMILES
Fc1cccc2CCC(CC3CN=CN3)=Cc12
    Show/Hide
InChI
InChI=1S/C14H15FN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-3,7,9,12H,4-6,8H2,(H,16,17)
    Show/Hide
InChIKey
WPIIASRYSZGPAA-UHFFFAOYSA-N
Physicochemical Property
logP
2.5455
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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
CID: 12981867
ChEMBL ID
CHEMBL353139
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 39.81 nM
   TI
   LI
   LO
   TS