General Information of the Compound
Compound ID
CP0467705
Compound Name
2-(furan-2-yl)-7-thiophen-2-yl-1,3-benzoxazol-5-amine
    Show/Hide
Structure
Formula
C15H10N2O2S
Molecular Weight
282.324
Canonical SMILES
Nc1cc(-c2cccs2)c2oc(nc2c1)-c1ccco1
    Show/Hide
InChI
InChI=1S/C15H10N2O2S/c16-9-7-10(13-4-2-6-20-13)14-11(8-9)17-15(19-14)12-3-1-5-18-12/h1-8H,16H2
    Show/Hide
InChIKey
UVPGKVICQAMXGQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3985
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
65.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 145993863
ChEMBL ID
CHEMBL4295251
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 = 71 nM
   TI
   LI
   LO
   TS