General Information of the Compound
| Compound ID |
CP0786940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(7-((3,5-dimethoxyphenyl)(3-(pyrrolidin-1-yl)propyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N7O3
|
||||||||||||||||||
| Molecular Weight |
529.645
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)Cn1cc(-c2cnc3ccc(N(CCCN4CCCC4)c4cc(OC)cc(OC)c4)cc3n2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N7O3/c1-30-29(37)20-35-19-21(17-32-35)28-18-31-26-8-7-22(15-27(26)33-28)36(12-6-11-34-9-4-5-10-34)23-13-24(38-2)16-25(14-23)39-3/h7-8,13-19H,4-6,9-12,20H2,1-3H3,(H,30,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZUAVFLTRIZLOD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2