General Information of the Compound
| Compound ID |
CP0912085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[2-(methyloxy)-4-(trans-4-{4-[2-(methylsulfonyl)-ethyl]-1-piperazinyl}cyclohexyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C44H46F2N8O4S
|
||||||||||||||||||
| Molecular Weight |
820.967
|
||||||||||||||||||
| Canonical SMILES |
COc1cc([C@H]2CC[C@H](N3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H46F2N8O4S/c1-58-38-28-30(29-12-15-33(16-13-29)53-23-21-52(22-24-53)25-26-59(2,56)57)14-17-36(38)48-44-47-19-18-37(49-44)42-40(50-39-11-3-4-20-54(39)42)31-7-5-8-32(27-31)43(55)51-41-34(45)9-6-10-35(41)46/h3-11,14,17-20,27-29,33H,12-13,15-16,21-26H2,1-2H3,(H,51,55)(H,47,48,49)/t29-,33-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFBQWCYWSBNWSE-SYLAHVNLSA-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 | |||||||||||||||||||
| 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