General Information of the Compound
Compound ID
CP0664748
Compound Name
N1-(3,5-dichlorophenyl)-N2-isopropyl-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
    Show/Hide
Structure
Formula
C23H24Cl2N6
Molecular Weight
455.393
Canonical SMILES
CC(C)NCCN(c1cc(Cl)cc(Cl)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
    Show/Hide
InChI
InChI=1S/C23H24Cl2N6/c1-15(2)26-6-7-31(20-9-17(24)8-18(25)10-20)19-4-5-21-22(11-19)29-23(13-27-21)16-12-28-30(3)14-16/h4-5,8-15,26H,6-7H2,1-3H3
    Show/Hide
InChIKey
NCPSPEUSGOPVQV-UHFFFAOYSA-N
Physicochemical Property
logP
5.4732
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 68208774
ChEMBL ID
CHEMBL3898926
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 = 2398.83 nM
   TI
   LI
   LO
   TS
2
IC50 = 5754.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10.96 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 = 2951.21 nM
   TI
   LI
   LO
   TS
2
IC50 = 5754.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 28.84 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 = 4897.79 nM
   TI
   LI
   LO
   TS
2
IC50 = 5888.44 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 = 6165.95 nM
   TI
   LI
   LO
   TS
2
IC50 = 6456.54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 190.55 nM