General Information of the Compound
| Compound ID |
CP0873431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(methyloxy)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H42F2N8O3
|
||||||||||||||||||
| Molecular Weight |
744.847
|
||||||||||||||||||
| Canonical SMILES |
COc1ccn2c(-c3ccnc(Nc4ccc(N5CCC(N6CCCCC6)CC5)cc4OC)n3)c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H42F2N8O3/c1-54-31-17-23-52-37(26-31)48-38(27-8-6-9-28(24-27)41(53)49-39-32(43)10-7-11-33(39)44)40(52)35-14-18-45-42(47-35)46-34-13-12-30(25-36(34)55-2)51-21-15-29(16-22-51)50-19-4-3-5-20-50/h6-14,17-18,23-26,29H,3-5,15-16,19-22H2,1-2H3,(H,49,53)(H,45,46,47)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJMRPORPEUGAKC-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