General Information of the Compound
Compound ID
CP0561743
Compound Name
2-(furan-2-yl)-7-(4-methylphenyl)-1,3-benzoxazol-5-amine
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Structure
Formula
C18H14N2O2
Molecular Weight
290.322
Canonical SMILES
Cc1ccc(cc1)-c1cc(N)cc2nc(oc12)-c1ccco1
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InChI
InChI=1S/C18H14N2O2/c1-11-4-6-12(7-5-11)14-9-13(19)10-15-17(14)22-18(20-15)16-3-2-8-21-16/h2-10H,19H2,1H3
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InChIKey
PAEQOPLSFHWCHW-UHFFFAOYSA-N
Physicochemical Property
logP
4.64542
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
65.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 145989004
ChEMBL ID
CHEMBL4293708
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