General Information of the Compound
Compound ID
CP0494051
Compound Name
2-(furan-2-yl)-7-phenyl-1,3-benzoxazol-5-amine
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Structure
Formula
C17H12N2O2
Molecular Weight
276.295
Canonical SMILES
Nc1cc(-c2ccccc2)c2oc(nc2c1)-c1ccco1
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InChI
InChI=1S/C17H12N2O2/c18-12-9-13(11-5-2-1-3-6-11)16-14(10-12)19-17(21-16)15-7-4-8-20-15/h1-10H,18H2
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InChIKey
PXDFFKGVRJZMBV-UHFFFAOYSA-N
Physicochemical Property
logP
4.337
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
65.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 145982396
ChEMBL ID
CHEMBL4281181
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 = 202 nM
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