General Information of the Compound
Compound ID
CP0485842
Compound Name
7-[6-(dimethylamino)pyridin-3-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
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Structure
Formula
C19H23N7O
Molecular Weight
365.441
Canonical SMILES
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1
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InChI
InChI=1S/C19H23N7O/c1-26(2)17-4-3-13(10-23-17)15-9-16-18(22-6-5-21-16)19(25-15)24-12-14-11-20-7-8-27-14/h3-6,9-10,14,20H,7-8,11-12H2,1-2H3,(H,24,25)/t14-/m0/s1
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InChIKey
NJBJRWXJKAMYFV-AWEZNQCLSA-N
Physicochemical Property
logP
1.5531
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
88.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 71113911
ChEMBL ID
CHEMBL4570588
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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