General Information of the Compound
Compound ID
CP0949619
Compound Name
2-((2,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethanol
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Structure
Formula
C22H23N5O3
Molecular Weight
405.458
Canonical SMILES
COc1ccc(OC)c(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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InChI
InChI=1S/C22H23N5O3/c1-26-14-15(12-24-26)20-13-23-18-6-4-16(10-19(18)25-20)27(8-9-28)21-11-17(29-2)5-7-22(21)30-3/h4-7,10-14,28H,8-9H2,1-3H3
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InChIKey
PVQGRMZRPISVOO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1779
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
85.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 68208833
ChEMBL ID
CHEMBL3963649
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: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 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 = 1513.56 nM
   TI
   LI
   LO
   TS