General Information of the Compound
| Compound ID |
CP0395780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-11-((1-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44N6O2
|
||||||||||||||||||
| Molecular Weight |
592.788
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCc2cn(CCCN4CCN(CC4)c4ccccc4OC)nn2)c-31
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44N6O2/c1-3-16-40-19-15-27-9-6-11-30-35(27)32(40)24-28-10-7-14-34(36(28)30)44-26-29-25-42(38-37-29)18-8-17-39-20-22-41(23-21-39)31-12-4-5-13-33(31)43-2/h4-7,9-14,25,32H,3,8,15-24,26H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGSQOYNWHXVVJS-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