General Information of the Compound
| Compound ID |
CP0749421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-dichloro-3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(prop-2-ynyl)quinoxalin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
468.344
|
||||||||||||||||||
| Canonical SMILES |
C#CCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1c(Cl)c(OC)cc(OC)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19Cl2N5O2/c1-5-8-30(23-21(24)19(31-3)10-20(32-4)22(23)25)15-6-7-16-17(9-15)28-18(12-26-16)14-11-27-29(2)13-14/h1,6-7,9-13H,8H2,2-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQLSSHDPNXYVAQ-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