General Information of the Compound
Compound ID
CP0562631
Compound Name
N-quinolin-2-ylfuran-2-carboxamide
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Structure
Formula
C14H10N2O2
Molecular Weight
238.246
Canonical SMILES
O=C(Nc1ccc2ccccc2n1)c1ccco1
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InChI
InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
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InChIKey
WSADRJQHSLAUGY-UHFFFAOYSA-N
Physicochemical Property
logP
3.0801
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 2812453
ChEMBL ID
CHEMBL4550896
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
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 59000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 165.96 nM
   TI
   LI
   LO
   TS
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 40000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 123000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000079 Expi293F Homo sapiens (Human)  1
1
Kd = 56000 nM
   TI
   LI
   LO
   TS