General Information of the Compound
Compound ID
CP0691194
Compound Name
N-Allyl-N'-(3-phenylpyrido[3,4-b]pyrazin-8-yl)urea
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Structure
Formula
C17H15N5O
Molecular Weight
305.341
Canonical SMILES
C=CCNC(=O)Nc1cncc2nc(-c3ccccc3)cnc12
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InChI
InChI=1S/C17H15N5O/c1-2-8-19-17(23)22-15-10-18-9-14-16(15)20-11-13(21-14)12-6-4-3-5-7-12/h2-7,9-11H,1,8H2,(H2,19,22,23)
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InChIKey
ROVFNLCGTHSKOF-UHFFFAOYSA-N
Physicochemical Property
logP
2.9993
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
79.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 127032542
ChEMBL ID
CHEMBL3781906
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 > 100000 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 > 31600 nM
   TI
   LI
   LO
   TS