General Information of the Compound
| Compound ID |
CP0649797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-((cyclopropylmethyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-5-methoxyphenoxy)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5O3
|
||||||||||||||||||
| Molecular Weight |
445.523
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCCO)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5O3/c1-29-16-18(13-27-29)25-14-26-23-6-5-19(11-24(23)28-25)30(15-17-3-4-17)20-9-21(32-2)12-22(10-20)33-8-7-31/h5-6,9-14,16-17,31H,3-4,7-8,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFJKJMVXZQNREI-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