General Information of the Compound
| Compound ID |
CP0845810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-{3-[2-({2-(methyloxy)-4-[2-(4-methyl-1-piperazinyl)ethyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H40F2N8O3
|
||||||||||||||||||
| Molecular Weight |
718.809
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(CCN4CCN(C)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H40F2N8O3/c1-4-53-33-14-12-27(25-28(33)39(51)47-37-29(41)8-7-9-30(37)42)36-38(50-18-6-5-10-35(50)46-36)32-15-17-43-40(45-32)44-31-13-11-26(24-34(31)52-3)16-19-49-22-20-48(2)21-23-49/h5-15,17-18,24-25H,4,16,19-23H2,1-3H3,(H,47,51)(H,43,44,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DREHWHRYPXJTBI-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: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor