General Information of the Compound
Compound ID
CP0432269
Compound Name
4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine
    Show/Hide
Structure
Formula
C19H13N5O2
Molecular Weight
343.346
Canonical SMILES
Cc1cc(Oc2nccc3occc23)ccc1-c1cncc2ncnn12
    Show/Hide
InChI
InChI=1S/C19H13N5O2/c1-12-8-13(26-19-15-5-7-25-17(15)4-6-21-19)2-3-14(12)16-9-20-10-18-22-11-23-24(16)18/h2-11H,1H3
    Show/Hide
InChIKey
OUGRRYAUMLQMJR-UHFFFAOYSA-N
Physicochemical Property
logP
4.03322
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
78.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 145992269
ChEMBL ID
CHEMBL4287192
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 = 5485 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 2346 nM
   TI
   LI
   LO
   TS