General Information of the Compound
Compound ID
CP0674998
Compound Name
N-(4-Methoxyphenyl)-N'-(3-phenylpyrido[3,4-b]pyrazin-8-yl)urea
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Structure
Formula
C21H17N5O2
Molecular Weight
371.4
Canonical SMILES
COc1ccc(NC(=O)Nc2cncc3nc(-c4ccccc4)cnc23)cc1
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InChI
InChI=1S/C21H17N5O2/c1-28-16-9-7-15(8-10-16)24-21(27)26-19-12-22-11-18-20(19)23-13-17(25-18)14-5-3-2-4-6-14/h2-13H,1H3,(H2,24,26,27)
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InChIKey
GPWYEGZCLUSIDX-UHFFFAOYSA-N
Physicochemical Property
logP
4.3444
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
89.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 127030123
ChEMBL ID
CHEMBL3781939
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 = 22060 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