General Information of the Compound
| Compound ID |
CP0373559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30N2O4
|
||||||||||||||||||
| Molecular Weight |
470.569
|
||||||||||||||||||
| Canonical SMILES |
OC(COc1ccccc1CC=C)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30N2O4/c1-2-7-20-8-3-4-13-26(20)35-19-23(32)18-30-16-14-22(15-17-30)31-28(33)24-11-5-9-21-10-6-12-25(27(21)24)29(31)34/h2-6,8-13,22-23,32H,1,7,14-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMFURVIUEDHOAW-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor