General Information of the Compound
Compound ID
CP0213834
Compound Name
7-[6-(dimethylamino)pyridin-3-yl]-N-[[(3S)-piperidin-3-yl]methyl]-1,6-naphthyridin-5-amine
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Structure
Formula
C21H26N6
Molecular Weight
362.481
Canonical SMILES
CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1
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InChI
InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1
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InChIKey
BYMPQGHXDOZTHZ-HNNXBMFYSA-N
Physicochemical Property
logP
3.1693
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
65.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 155533031
ChEMBL ID
CHEMBL4468047
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50118.72 nM
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