General Information of the Compound
Compound ID
CP0248027
Compound Name
1,4-dimethyl-2-[(E)-2-phenylethenyl]imidazo[4,5-b]pyridin-5-one
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Structure
Formula
C16H15N3O
Molecular Weight
265.316
Canonical SMILES
Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)ccc12
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InChI
InChI=1S/C16H15N3O/c1-18-13-9-11-15(20)19(2)16(13)17-14(18)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+
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InChIKey
SECOXYBIXVNDDY-CSKARUKUSA-N
Physicochemical Property
logP
2.4424
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
39.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 71562670
SID: 163563070
ChEMBL ID
CHEMBL2313288
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS