General Information of the Compound
Compound ID
CP0537697
Compound Name
6-[6-(furo[3,2-c]pyridin-4-ylamino)pyridin-3-yl]-1,5-dimethylpyrimidine-2,4-dione
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Structure
Formula
C18H15N5O3
Molecular Weight
349.35
Canonical SMILES
Cc1c(-c2ccc(Nc3nccc4occc34)nc2)n(C)c(=O)[nH]c1=O
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InChI
InChI=1S/C18H15N5O3/c1-10-15(23(2)18(25)22-17(10)24)11-3-4-14(20-9-11)21-16-12-6-8-26-13(12)5-7-19-16/h3-9H,1-2H3,(H,19,20,21)(H,22,24,25)
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InChIKey
LOUGEFVASUWEKZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.32882
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
105.81
Hydrogen Bond Donor Count
2
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).

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PubChem ID
CID: 155549423
ChEMBL ID
CHEMBL4538358
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 450 nM
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