General Information of the Compound
| Compound ID |
CP0866996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-{2-[(5-chloro-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-(methyloxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H37ClF2N8O5S
|
||||||||||||||||||
| Molecular Weight |
803.292
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(Cl)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H37ClF2N8O5S/c1-54-32-11-10-24(21-25(32)38(51)47-36-27(41)7-6-8-28(36)42)35-37(50-14-5-4-9-34(50)46-35)29-12-13-43-39(44-29)45-30-22-26(40)31(23-33(30)55-2)49-17-15-48(16-18-49)19-20-56(3,52)53/h4-14,21-23H,15-20H2,1-3H3,(H,47,51)(H,43,44,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJOXTGRBHQNXEJ-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