General Information of the Compound
Compound ID
CP0435938
Compound Name
N-[2-(6-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)ethyl]acetamide
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Structure
Formula
C18H19N3O2
Molecular Weight
309.369
Canonical SMILES
COc1ccc2nc(c(CCNC(C)=O)n2c1)-c1ccccc1
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InChI
InChI=1S/C18H19N3O2/c1-13(22)19-11-10-16-18(14-6-4-3-5-7-14)20-17-9-8-15(23-2)12-21(16)17/h3-9,12H,10-11H2,1-2H3,(H,19,22)
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InChIKey
PFEVVGKALCRUNC-UHFFFAOYSA-N
Physicochemical Property
logP
2.6885
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 11702296
SID: 16806924
ChEMBL ID
CHEMBL1823017
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: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 28 nM
   TI
   LI
   LO
   TS
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 8 nM
   TI
   LI
   LO
   TS