General Information of the Compound
| Compound ID |
CP0479116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C58H80N10O6
|
||||||||||||||||||
| Molecular Weight |
1013.342
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLZFBRKWSABTPJ-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor