General Information of the Compound
Compound ID
CP0391522
Compound Name
ethyl 2-(furan-2-yl)-5-hydrazinyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
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Structure
Formula
C12H12N6O3
Molecular Weight
288.267
Canonical SMILES
CCOC(=O)c1cnc(NN)n2nc(nc12)-c1ccco1
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InChI
InChI=1S/C12H12N6O3/c1-2-20-11(19)7-6-14-12(16-13)18-10(7)15-9(17-18)8-4-3-5-21-8/h3-6H,2,13H2,1H3,(H,14,16)
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InChIKey
LZRJTCLKARXZBF-UHFFFAOYSA-N
Physicochemical Property
logP
0.8466
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
120.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
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: 145991303
ChEMBL ID
CHEMBL4285888
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2080 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 63.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 159 nM
   TI
   LI
   LO
   TS