General Information of the Compound
Compound ID
CP0387249
Compound Name
2-(furan-2-yl)-5-(methylamino)-N'-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbohydrazide
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Structure
Formula
C17H15N7O2
Molecular Weight
349.354
Canonical SMILES
CNc1ncc(C(=O)NNc2ccccc2)c2nc(nn12)-c1ccco1
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InChI
InChI=1S/C17H15N7O2/c1-18-17-19-10-12(16(25)22-21-11-6-3-2-4-7-11)15-20-14(23-24(15)17)13-8-5-9-26-13/h2-10,21H,1H3,(H,18,19)(H,22,25)
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InChIKey
REOHRGISVBVLES-UHFFFAOYSA-N
Physicochemical Property
logP
2.1829
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
109.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
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: 145981492
ChEMBL ID
CHEMBL4280829
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 = 58.7 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 = 342 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 = 15.1 nM
   TI
   LI
   LO
   TS