General Information of the Compound
| Compound ID |
CP0763928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-[4-(trifluoromethyl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32F3N3O4
|
||||||||||||||||||
| Molecular Weight |
519.564
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32F3N3O4/c1-35-24-5-3-2-4-23(24)32-16-14-31(15-17-32)18-22-19-36-26(37-22)10-12-33(13-11-26)25(34)20-6-8-21(9-7-20)27(28,29)30/h2-9,22H,10-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEOKAVWIADBGHU-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor