General Information of the Compound
| Compound ID |
CP0012892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-[2-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-3-yl]oxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H60N8O10S
|
||||||||||||||||||
| Molecular Weight |
929.11
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H60N8O10S/c1-37-50-40(36-66-37)10-8-38-28-42(31-48-30-38)64-35-47(56)49-12-18-59-20-22-61-24-26-63-27-25-62-23-21-60-19-17-55-33-41(51-52-55)34-65-45-11-9-39(29-46(45)58-3)32-53-13-15-54(16-14-53)43-6-4-5-7-44(43)57-2/h4-7,9,11,28-31,33,36H,12-27,32,34-35H2,1-3H3,(H,49,56)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCSADJSYXSUUQV-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: PT01005, D(2) dopamine receptor
Protein ID: PT00854, Metabotropic glutamate receptor 5