General Information of the Compound
Compound ID
CP0485841
Compound Name
3-[[7-[6-(dimethylamino)pyridin-3-yl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide
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Structure
Formula
C17H19N7O
Molecular Weight
337.387
Canonical SMILES
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NCCC(N)=O)n1
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InChI
InChI=1S/C17H19N7O/c1-24(2)15-4-3-11(10-22-15)12-9-13-16(20-8-7-19-13)17(23-12)21-6-5-14(18)25/h3-4,7-10H,5-6H2,1-2H3,(H2,18,25)(H,21,23)
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InChIKey
RQIHWUXZUCCRLQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.4401
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
109.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 66555697
SID: 152162456
ChEMBL ID
CHEMBL4469541
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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