General Information of the Compound
Compound ID
CP0493886
Compound Name
N-ethyl-N-(2-hydroxyethyl)-3-(6-methoxypyridin-2-yl)indolizine-2-carboxamide
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Structure
Formula
C19H21N3O3
Molecular Weight
339.395
Canonical SMILES
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(OC)n1
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InChI
InChI=1S/C19H21N3O3/c1-3-21(11-12-23)19(24)15-13-14-7-4-5-10-22(14)18(15)16-8-6-9-17(20-16)25-2/h4-10,13,23H,3,11-12H2,1-2H3
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InChIKey
PITYPMPLEOAHRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.4643
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
67.07
Hydrogen Bond Donor Count
1
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: 71458774
SID: 163447454
ChEMBL ID
CHEMBL2164884
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 33113.11 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1258.93 nM
   TI
   LI
   LO
   TS