General Information of the Compound
| Compound ID |
CP0803485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-((diethylamino)methyl)-5-methoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(pyrrolidin-1-yl)propyl)quinoxalin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41N7O
|
||||||||||||||||||
| Molecular Weight |
527.717
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N7O/c1-5-36(6-2)22-24-16-27(18-28(17-24)39-4)38(15-9-14-37-12-7-8-13-37)26-10-11-29-30(19-26)34-31(21-32-29)25-20-33-35(3)23-25/h10-11,16-21,23H,5-9,12-15,22H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTGQGTOGUOJONG-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