General Information of the Compound
Compound ID
CP0726601
Compound Name
2-(4-Methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
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Structure
Formula
C24H23N5O2
Molecular Weight
413.481
Canonical SMILES
COc1ccc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccc3n2)cc1
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InChI
InChI=1S/C24H23N5O2/c1-30-20-8-2-17(3-9-20)22-16-26-23-21(28-22)10-11-25-24(23)27-18-4-6-19(7-5-18)29-12-14-31-15-13-29/h2-11,16H,12-15H2,1H3,(H,25,27)
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InChIKey
SIQKTWQNQGTCLQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2806
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
72.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 127031675
ChEMBL ID
CHEMBL3780637
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 = 6690 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 = 7070 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 = 12000 nM
   TI
   LI
   LO
   TS