General Information of the Compound
Compound ID
CP0483356
Compound Name
5-furo[3,2-c]pyridin-4-yloxy-2-imidazo[1,2-a]pyridin-5-ylaniline
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Structure
Formula
C20H14N4O2
Molecular Weight
342.358
Canonical SMILES
Nc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
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InChI
InChI=1S/C20H14N4O2/c21-16-12-13(26-20-15-7-11-25-18(15)6-8-23-20)4-5-14(16)17-2-1-3-19-22-9-10-24(17)19/h1-12H,21H2
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InChIKey
XUEXYEWTEROLOJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.517
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
78.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 90134269
ChEMBL ID
CHEMBL4548284
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 = 10 nM
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