General Information of the Compound
Compound ID
CP0405338
Compound Name
4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
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Structure
Formula
C23H16N2O3
Molecular Weight
368.392
Canonical SMILES
COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1
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InChI
InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3
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InChIKey
IYKSDQDBJIYZDN-UHFFFAOYSA-N
Physicochemical Property
logP
5.8439
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
57.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 130442561
ChEMBL ID
CHEMBL4286110
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 = 1333 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 56.3 nM
   TI
   LI
   LO
   TS