General Information of the Compound
Compound ID
CP0902844
Compound Name
N-(6-(furan-2-yl)-5-(5H-tetrazol-5-yl)pyridin-2-yl)cyclopropanecarboxamide
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Structure
Formula
C14H12N6O2
Molecular Weight
296.29
Canonical SMILES
O=C(Nc1ccc(C2N=NN=N2)c(-c2ccco2)n1)C1CC1
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InChI
InChI=1S/C14H12N6O2/c21-14(8-3-4-8)16-11-6-5-9(13-17-19-20-18-13)12(15-11)10-2-1-7-22-10/h1-2,5-8,13H,3-4H2,(H,15,16,21)
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InChIKey
MMRPFVNUEBTETA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5217
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
104.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 46880374
ChEMBL ID
CHEMBL1079802
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 1638 nM
   TI
   LI
   LO
   TS