General Information of the Compound
Compound ID
CP0726602
Compound Name
N-(3-Methoxyphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine
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Structure
Formula
C20H16N4O
Molecular Weight
328.375
Canonical SMILES
COc1cccc(Nc2cc3nc(-c4ccccc4)cnc3cn2)c1
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InChI
InChI=1S/C20H16N4O/c1-25-16-9-5-8-15(10-16)23-20-11-17-19(13-22-20)21-12-18(24-17)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23)
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InChIKey
WDUHSVJZBUZHNP-UHFFFAOYSA-N
Physicochemical Property
logP
4.444
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 127033165
ChEMBL ID
CHEMBL3781159
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 > 100000 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 > 31600 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 > 100000 nM
   TI
   LI
   LO
   TS