General Information of the Compound
Compound ID
CP0384646
Compound Name
4-(4-imidazo[1,2-a]pyridin-5-yl-3-methylphenoxy)furo[3,2-c]pyridine
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Structure
Formula
C21H15N3O2
Molecular Weight
341.37
Canonical SMILES
Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
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InChI
InChI=1S/C21H15N3O2/c1-14-13-15(26-21-17-8-12-25-19(17)7-9-23-21)5-6-16(14)18-3-2-4-20-22-10-11-24(18)20/h2-13H,1H3
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InChIKey
PQMACIUZHAYTRR-UHFFFAOYSA-N
Physicochemical Property
logP
5.24322
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
52.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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).

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PubChem ID
CID: 130442473
ChEMBL ID
CHEMBL4294397
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 = 262 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 38.1 nM
   TI
   LI
   LO
   TS