General Information of the Compound
Compound ID
CP0547194
Compound Name
N'-(3,5-dimethoxyphenyl)-N'-[2-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
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Structure
Formula
C25H30N6O2
Molecular Weight
446.555
Canonical SMILES
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2nc(cnc2c1)-c1cnn(C)c1
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InChI
InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)27-15-25(29-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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InChIKey
YYMGAHUGGLEVAR-UHFFFAOYSA-N
Physicochemical Property
logP
4.1836
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
77.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
33

"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: 153991507
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: PT01115, Fibroblast growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 68 nM