General Information of the Compound
Compound ID
CP0487969
Compound Name
N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide
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Structure
Formula
C20H22N2O2
Molecular Weight
322.408
Canonical SMILES
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C)c1
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InChI
InChI=1S/C20H22N2O2/c1-3-21(11-12-23)20(24)18-14-17-9-4-5-10-22(17)19(18)16-8-6-7-15(2)13-16/h4-10,13-14,23H,3,11-12H2,1-2H3
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InChIKey
ZRNLHFNNDAUNMS-UHFFFAOYSA-N
Physicochemical Property
logP
3.36912
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
44.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 71456916
SID: 163447216
ChEMBL ID
CHEMBL2164882
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: 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 = 158.49 nM
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