General Information of the Compound
| Compound ID |
CP0756692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(3-(4-(7-((3,5-dimethoxyphenyl)(2-(isopropylamino)ethyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)propyl)piperazin-1-yl)propan-1-ol hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H49ClN8O3
|
||||||||||||||||||
| Molecular Weight |
653.272
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCN5CCN(CCCO)CC5)c4)nc3c2)c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H48N8O3.ClH/c1-26(2)35-9-13-42(29-19-30(44-3)22-31(20-29)45-4)28-7-8-32-33(21-28)38-34(24-36-32)27-23-37-41(25-27)12-5-10-39-14-16-40(17-15-39)11-6-18-43;/h7-8,19-26,35,43H,5-6,9-18H2,1-4H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYBSQQSMJGVGJW-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