General Information of the Compound
| Compound ID |
CP0007431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[8-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]octyl-methylamino]pentyl]-2-[3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H66N8O5S
|
||||||||||||||||||
| Molecular Weight |
891.196
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRDOLUJNVQSLJJ-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