General Information of the Compound
Compound ID
CP0664761
Compound Name
2-((3,5-dimethoxyphenyl)(3-(5-ethyl-1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethanol
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Structure
Formula
C24H27N5O3
Molecular Weight
433.512
Canonical SMILES
CCc1c(-c2cnc3ccc(N(CCO)c4cc(OC)cc(OC)c4)cc3n2)cnn1C
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InChI
InChI=1S/C24H27N5O3/c1-5-24-20(14-26-28(24)2)23-15-25-21-7-6-16(12-22(21)27-23)29(8-9-30)17-10-18(31-3)13-19(11-17)32-4/h6-7,10-15,30H,5,8-9H2,1-4H3
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InChIKey
QMHOAFNGBZAYPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.7403
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
85.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 68209475
ChEMBL ID
CHEMBL3986725
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: PT01091, Fibroblast growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 630.96 nM
   TI
   LI
   LO
   TS
2
IC50 = 9772.37 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.12 nM
Protein ID: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 512.86 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.511 nM
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 2511.89 nM
   TI
   LI
   LO
   TS
2
IC50 = 9549.93 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
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 4265.8 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 177.83 nM