General Information of the Compound
Compound ID
CP0691196
Compound Name
3-Phenyl-N-(4-piperidin-1-ylphenyl)pyrido[3,4-b]pyrazin-7-amine
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Structure
Formula
C24H23N5
Molecular Weight
381.483
Canonical SMILES
c1ccc(-c2cnc3cc(Nc4ccc(N5CCCCC5)cc4)ncc3n2)cc1
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InChI
InChI=1S/C24H23N5/c1-3-7-18(8-4-1)22-16-25-21-15-24(26-17-23(21)28-22)27-19-9-11-20(12-10-19)29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14H2,(H,26,27)
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InChIKey
BYHRBRFVUCUWQO-UHFFFAOYSA-N
Physicochemical Property
logP
5.4257
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
53.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 127031368
ChEMBL ID
CHEMBL3780571
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 = 27210 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