General Information of the Compound
Compound ID
CP0384639
Compound Name
4-[4-(6-methoxy-2-methylpyridin-3-yl)-3-methylphenoxy]furo[3,2-c]pyridine
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Structure
Formula
C21H18N2O3
Molecular Weight
346.386
Canonical SMILES
COc1ccc(c(C)n1)-c1ccc(Oc2nccc3occc23)cc1C
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InChI
InChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3
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InChIKey
BUMAFJXLGSZPPK-UHFFFAOYSA-N
Physicochemical Property
logP
5.30754
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
57.38
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: 130442508
ChEMBL ID
CHEMBL4457399
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 > 10000 nM
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