General Information of the Compound
| Compound ID |
CP0863042
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-3-(3-{2-[(2-(ethyloxy)-4-{4-[1-(2-fluoroethyl)-4-piperidinyl]-1-piperazinyl]phenyl)amino}-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H44F3N9O2
|
||||||||||||||||||
| Molecular Weight |
775.88
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(N2CCN(C3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H44F3N9O2/c1-2-57-37-28-32(54-25-23-53(24-26-54)31-15-20-52(21-16-31)22-17-44)12-13-35(37)48-43-47-18-14-36(49-43)41-39(50-38-11-3-4-19-55(38)41)29-7-5-8-30(27-29)42(56)51-40-33(45)9-6-10-34(40)46/h3-14,18-19,27-28,31H,2,15-17,20-26H2,1H3,(H,51,56)(H,47,48,49)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPVDFQQBOKAQNJ-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