General Information of the Compound
Compound ID
CP0529255
Compound Name
2-(furan-2-yl)-7-morpholin-4-yl-1,3-benzoxazol-5-amine
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Structure
Formula
C15H15N3O3
Molecular Weight
285.303
Canonical SMILES
Nc1cc(N2CCOCC2)c2oc(nc2c1)-c1ccco1
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InChI
InChI=1S/C15H15N3O3/c16-10-8-11-14(12(9-10)18-3-6-19-7-4-18)21-15(17-11)13-2-1-5-20-13/h1-2,5,8-9H,3-4,6-7,16H2
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InChIKey
YWUWAKROJFNRPB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5066
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
77.66
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 145979392
ChEMBL ID
CHEMBL4279128
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