General Information of the Compound
Compound ID
CP0690291
Compound Name
N-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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Structure
Formula
C22H23N5O2
Molecular Weight
389.459
Canonical SMILES
COCCN(c1cccc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
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InChI
InChI=1S/C22H23N5O2/c1-26-15-16(13-24-26)22-14-23-20-8-7-18(12-21(20)25-22)27(9-10-28-2)17-5-4-6-19(11-17)29-3/h4-8,11-15H,9-10H2,1-3H3
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InChIKey
YBYROMOZHMOYRQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8234
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
65.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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: 68209336
ChEMBL ID
CHEMBL3947293
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 = 3630.78 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 53.7 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 = 4570.88 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 29.51 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)  1
1
IC50 > 10000 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)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 331.13 nM