General Information of the Compound
| Compound ID |
CP0848529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H46F3N9O3
|
||||||||||||||||||
| Molecular Weight |
805.906
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC(N5CCN(CCF)CC5)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H46F3N9O3/c1-3-59-37-13-10-29(27-32(37)43(57)52-41-33(46)7-6-8-34(41)47)40-42(56-19-5-4-9-39(56)51-40)36-14-18-48-44(50-36)49-35-12-11-31(28-38(35)58-2)54-20-15-30(16-21-54)55-25-23-53(22-17-45)24-26-55/h4-14,18-19,27-28,30H,3,15-17,20-26H2,1-2H3,(H,52,57)(H,48,49,50)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZPVGQHHONSXBG-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