General Information of the Compound
Compound ID
CP0411629
Compound Name
4-[3-methyl-4-(6-methylimidazo[1,2-a]pyridin-5-yl)phenoxy]furo[3,2-c]pyridine
    Show/Hide
Structure
Formula
C22H17N3O2
Molecular Weight
355.397
Canonical SMILES
Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C
    Show/Hide
InChI
InChI=1S/C22H17N3O2/c1-14-3-6-20-23-10-11-25(20)21(14)17-5-4-16(13-15(17)2)27-22-18-8-12-26-19(18)7-9-24-22/h3-13H,1-2H3
    Show/Hide
InChIKey
UYMWVLXWMJCALD-UHFFFAOYSA-N
Physicochemical Property
logP
5.55164
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
52.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 130442514
ChEMBL ID
CHEMBL4279267
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 64 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 6.8 nM
   TI
   LI
   LO
   TS