General Information of the Compound
| Compound ID |
CP0704178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(2-methylpyrrolidin-1-yl)propyl)quinoxalin-6-amine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35ClN6O2
|
||||||||||||||||||
| Molecular Weight |
523.081
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC[C@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N6O2.ClH/c1-20-7-5-10-33(20)11-6-12-34(23-13-24(35-3)16-25(14-23)36-4)22-8-9-26-27(15-22)31-28(18-29-26)21-17-30-32(2)19-21;/h8-9,13-20H,5-7,10-12H2,1-4H3;1H/t20-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIXXSGFKMGLYQT-VEIFNGETSA-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