General Information of the Compound
| Compound ID |
CP0913168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-3-methyl-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(methyloxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H44F2N8O3
|
||||||||||||||||||
| Molecular Weight |
758.874
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC(N5CCCCC5)CC4)c(C)c3OC)n2)cc1C(=O)Nc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H44F2N8O3/c1-27-35(52-24-18-29(19-25-52)51-21-6-4-7-22-51)15-14-34(41(27)56-3)48-43-46-20-17-33(47-43)40-38(49-37-12-5-8-23-53(37)40)28-13-16-36(55-2)30(26-28)42(54)50-39-31(44)10-9-11-32(39)45/h5,8-17,20,23,26,29H,4,6-7,18-19,21-22,24-25H2,1-3H3,(H,50,54)(H,46,47,48)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWWPNEKICNPIFM-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