General Information of the Compound
| Compound ID |
CP0700932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)-1-methylpiperidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N7O3
|
||||||||||||||||||
| Molecular Weight |
529.645
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(=O)C2CCCN(C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N7O3/c1-34-10-5-6-20(18-34)29(37)30-9-11-36(23-12-24(38-3)15-25(13-23)39-4)22-7-8-26-27(14-22)33-28(17-31-26)21-16-32-35(2)19-21/h7-8,12-17,19-20H,5-6,9-11,18H2,1-4H3,(H,30,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPQQBBDCGUBBFQ-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