General Information of the Compound
Compound ID
CP0568912
Compound Name
1-[2-(Azetidin-1-yl)-2-oxo-ethyl]-3-methyl-6-[3- (trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
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Structure
Formula
C19H17F3N4O2
Molecular Weight
390.365
Canonical SMILES
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C19H17F3N4O2/c1-24-17-15(26(18(24)28)11-16(27)25-6-3-7-25)9-13(10-23-17)12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8-10H,3,6-7,11H2,1H3
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InChIKey
ARBHFERAFIBOCA-UHFFFAOYSA-N
Physicochemical Property
logP
2.6531
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
60.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 134490113
ChEMBL ID
CHEMBL4797887
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