General Information of the Compound
Compound ID
CP0528542
Compound Name
7-[6-(dimethylamino)pyridin-3-yl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
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Structure
Formula
C20H26N8
Molecular Weight
378.484
Canonical SMILES
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CNCCN2C)n1
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InChI
InChI=1S/C20H26N8/c1-27(2)18-5-4-14(11-24-18)16-10-17-19(23-7-6-22-17)20(26-16)25-13-15-12-21-8-9-28(15)3/h4-7,10-11,15,21H,8-9,12-13H2,1-3H3,(H,25,26)/t15-/m1/s1
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InChIKey
COWZMOOYUJTEOM-OAHLLOKOSA-N
Physicochemical Property
logP
1.4683
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
82.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 66554658
ChEMBL ID
CHEMBL4468195
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 = 15848.93 nM
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