General Information of the Compound
| Compound ID |
CP0928839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-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]-2-(methyloxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H44F3N9O3
|
||||||||||||||||||
| Molecular Weight |
791.879
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H44F3N9O3/c1-57-36-12-9-28(26-31(36)42(56)51-40-32(45)6-5-7-33(40)46)39-41(55-18-4-3-8-38(55)50-39)35-13-17-47-43(49-35)48-34-11-10-30(27-37(34)58-2)53-19-14-29(15-20-53)54-24-22-52(21-16-44)23-25-54/h3-13,17-18,26-27,29H,14-16,19-25H2,1-2H3,(H,51,56)(H,47,48,49)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDVUZJSZZMHEEE-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