General Information of the Compound
Compound ID
CP0726600
Compound Name
N-(4-Morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-5-amine
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Structure
Formula
C23H21N5O
Molecular Weight
383.455
Canonical SMILES
c1ccc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccc3n2)cc1
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InChI
InChI=1S/C23H21N5O/c1-2-4-17(5-3-1)21-16-25-22-20(27-21)10-11-24-23(22)26-18-6-8-19(9-7-18)28-12-14-29-15-13-28/h1-11,16H,12-15H2,(H,24,26)
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InChIKey
UXNGTVMJGBIVEX-UHFFFAOYSA-N
Physicochemical Property
logP
4.272
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
63.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 127031386
ChEMBL ID
CHEMBL3780515
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 = 13740 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 = 12630 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 = 16000 nM
   TI
   LI
   LO
   TS