General Information of the Compound
Compound ID
CP0457568
Compound Name
2-(furan-2-yl)-1,3-benzoxazol-5-amine
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Structure
Formula
C11H8N2O2
Molecular Weight
200.197
Canonical SMILES
Nc1ccc2oc(nc2c1)-c1ccco1
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InChI
InChI=1S/C11H8N2O2/c12-7-3-4-9-8(6-7)13-11(15-9)10-2-1-5-14-10/h1-6H,12H2
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InChIKey
BAPKXAQKALAXCW-UHFFFAOYSA-N
Physicochemical Property
logP
2.67
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
65.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 24699001
ChEMBL ID
CHEMBL4287973
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 10000 nM
   TI
   LI
   LO
   TS