General Information of the Compound
Compound ID
CP0578928
Compound Name
N,N-Dimethyl-2-[3-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]imidazo[4,5- b]pyridin-1-yl]acetamide
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Structure
Formula
C18H17F3N4O2
Molecular Weight
378.354
Canonical SMILES
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C18H17F3N4O2/c1-23(2)15(26)10-25-14-8-12(9-22-16(14)24(3)17(25)27)11-5-4-6-13(7-11)18(19,20)21/h4-9H,10H2,1-3H3
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InChIKey
CHUALODKFSBYCN-UHFFFAOYSA-N
Physicochemical Property
logP
2.509
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
60.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 134490124
ChEMBL ID
CHEMBL4800326
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 > 10000 nM
   TI
   LI
   LO
   TS