General Information of the Compound
Compound ID
CP0688449
Compound Name
N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
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Structure
Formula
C22H24N6O4S
Molecular Weight
468.539
Canonical SMILES
COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)S(=O)(=O)N(C)C)c1
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InChI
InChI=1S/C22H24N6O4S/c1-26(2)33(29,30)28(17-8-18(31-4)11-19(9-17)32-5)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-27(3)14-15/h6-14H,1-5H3
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InChIKey
YFVSIFXYGYSXNP-UHFFFAOYSA-N
Physicochemical Property
logP
2.992
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
102.68
Hydrogen Bond Donor Count
0
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: 68209157
ChEMBL ID
CHEMBL3896514
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 = 2290.87 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16.22 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 = 9332.54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10.47 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 = 245.47 nM