General Information of the Compound
Compound ID
CP0487651
Compound Name
N,N-Dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)-2- thienyl]imidazo[4,5-b]pyridin-1-yl]acetamide
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Structure
Formula
C16H15F3N4O2S
Molecular Weight
384.383
Canonical SMILES
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(s1)C(F)(F)F
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InChI
InChI=1S/C16H15F3N4O2S/c1-21(2)13(24)8-23-10-6-9(7-20-14(10)22(3)15(23)25)11-4-5-12(26-11)16(17,18)19/h4-7H,8H2,1-3H3
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InChIKey
LZDMVQGCGHJVOI-UHFFFAOYSA-N
Physicochemical Property
logP
2.5705
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
60.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 134493680
ChEMBL ID
CHEMBL4762353
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