General Information of the Compound
Compound ID
CP0379445
Compound Name
N-[4,6-bis(furan-2-yl)pyrimidin-2-yl]propanamide
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Structure
Formula
C15H13N3O3
Molecular Weight
283.287
Canonical SMILES
CCC(=O)Nc1nc(cc(n1)-c1ccco1)-c1ccco1
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InChI
InChI=1S/C15H13N3O3/c1-2-14(19)18-15-16-10(12-5-3-7-20-12)9-11(17-15)13-6-4-8-21-13/h3-9H,2H2,1H3,(H,16,17,18,19)
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InChIKey
GCHDEEGJHCCAEL-UHFFFAOYSA-N
Physicochemical Property
logP
3.3451
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
81.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 44203646
SID: 85203474
ChEMBL ID
CHEMBL1650341
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 1903 nM
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