General Information of the Compound
Compound ID
CP0493885
Compound Name
N-ethyl-N-(2-hydroxyethyl)-3-[6-(trifluoromethyl)pyridin-2-yl]indolizine-2-carboxamide
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Structure
Formula
C19H18F3N3O2
Molecular Weight
377.366
Canonical SMILES
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(n1)C(F)(F)F
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InChI
InChI=1S/C19H18F3N3O2/c1-2-24(10-11-26)18(27)14-12-13-6-3-4-9-25(13)17(14)15-7-5-8-16(23-15)19(20,21)22/h3-9,12,26H,2,10-11H2,1H3
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InChIKey
BUQZZMPYKSSLSV-UHFFFAOYSA-N
Physicochemical Property
logP
3.4745
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
57.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 71460584
SID: 163447455
ChEMBL ID
CHEMBL2164885
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 = 501.19 nM
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