General Information of the Compound
| Compound ID |
CP0883056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)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(N4CCN(C(C)C)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H40F2N8O3/c1-5-53-33-15-12-26(23-28(33)39(51)47-37-29(41)9-8-10-30(37)42)36-38(50-18-7-6-11-35(50)46-36)32-16-17-43-40(45-32)44-31-14-13-27(24-34(31)52-4)49-21-19-48(20-22-49)25(2)3/h6-18,23-25H,5,19-22H2,1-4H3,(H,47,51)(H,43,44,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLMVXEUFSWMMGH-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