General Information of the Compound
Compound ID
CP0459764
Compound Name
N-[1-hydroxy-3-(6-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)propan-2-yl]acetamide
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Structure
Formula
C19H21N3O3
Molecular Weight
339.395
Canonical SMILES
COc1ccc2nc(c(CC(CO)NC(C)=O)n2c1)-c1ccccc1
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InChI
InChI=1S/C19H21N3O3/c1-13(24)20-15(12-23)10-17-19(14-6-4-3-5-7-14)21-18-9-8-16(25-2)11-22(17)18/h3-9,11,15,23H,10,12H2,1-2H3,(H,20,24)
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InChIKey
OGWZOWQWVDHDNQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.0494
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
75.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 54770909
SID: 131535565
ChEMBL ID
CHEMBL1823018
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 > 10000 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 = 7980 nM
   TI
   LI
   LO
   TS