General Information of the Compound
Compound ID
CP0443898
Compound Name
4-[6-amino-5-(6-methoxypyridin-3-yl)pyridin-3-yl]-N,N-dimethylbenzamide
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Structure
Formula
C20H20N4O2
Molecular Weight
348.406
Canonical SMILES
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N(C)C
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InChI
InChI=1S/C20H20N4O2/c1-24(2)20(25)14-6-4-13(5-7-14)16-10-17(19(21)23-12-16)15-8-9-18(26-3)22-11-15/h4-12H,1-3H3,(H2,21,23)
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InChIKey
PWSITNMVZZIHAY-UHFFFAOYSA-N
Physicochemical Property
logP
3.1032
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
81.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 53312066
SID: 124771550
ChEMBL ID
CHEMBL2181481
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
CL000695 CHL Cricetulus griseus (Chinese hamster)  1
1
IC50 > 11000 nM
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   LI
   LO
   TS