General Information of the Compound
| Compound ID |
CP0845866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorophenyl)-2-[(1-methylethyl)oxy]-5-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H45F2N7O5S
|
||||||||||||||||||
| Molecular Weight |
809.94
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC(C)C)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H45F2N7O5S/c1-26(2)57-36-13-12-29(24-30(36)42(53)50-40-31(44)9-8-10-32(40)45)39-41(52-19-7-6-11-38(52)49-39)33-14-18-46-43(47-33)48-34-23-27(3)35(25-37(34)56-4)51-20-15-28(16-21-51)17-22-58(5,54)55/h6-14,18-19,23-26,28H,15-17,20-22H2,1-5H3,(H,50,53)(H,46,47,48)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPKWKZSDCIWINR-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