General Information of the Compound
| Compound ID |
CP0489497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[(2S,4R)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-dioxolan-2-yl]methyl]piperidine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O5
|
||||||||||||||||||
| Molecular Weight |
479.577
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O5/c1-33-24-11-6-5-10-23(24)29-16-14-28(15-17-29)18-22-19-34-27(35-22,21-8-3-2-4-9-21)20-30-25(31)12-7-13-26(30)32/h2-6,8-11,22H,7,12-20H2,1H3/t22-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXYDEEZYQMLTIS-AJTFRIOCSA-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