General Information of the Compound
Compound ID
CP0841521
Compound Name
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrido[3,4-b]pyrazin-8-amine
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Structure
Formula
C22H20N4O3
Molecular Weight
388.427
Canonical SMILES
COc1ccc(-c2cnc3cncc(Nc4cc(OC)ccc4OC)c3n2)cc1
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InChI
InChI=1S/C22H20N4O3/c1-27-15-6-4-14(5-7-15)18-13-24-19-11-23-12-20(22(19)26-18)25-17-10-16(28-2)8-9-21(17)29-3/h4-13,25H,1-3H3
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InChIKey
UOJSYTFKPYHYHF-UHFFFAOYSA-N
Physicochemical Property
logP
4.4612
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
78.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 57332970
SID: 136335357
ChEMBL ID
CHEMBL3782019
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1450 nM
   TI
   LI
   LO
   TS
Protein ID: PT01066, Tyrosine-protein kinase Yes
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2010 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1600 nM
   TI
   LI
   LO
   TS