General Information of the Compound
| Compound ID |
CP0372855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-Hexanoyloxy-N-n-propylnoraporphine
Show/Hide
|
||||||||||||||||||
| Synonyms |
11-Hexanoyloxy-N-n-propylnoraporphine
CHEMBL515342
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31NO2
|
||||||||||||||||||
| Molecular Weight |
377.528
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31NO2/c1-3-5-6-13-23(27)28-22-12-8-10-19-17-21-24-18(14-16-26(21)15-4-2)9-7-11-20(24)25(19)22/h7-12,21H,3-6,13-17H2,1-2H3/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHDFATFMTYOPPY-OAQYLSRUSA-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Clinical Information about the Compound