General Information of the Compound
| Compound ID |
CP0444386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35NO3
|
||||||||||||||||||
| Molecular Weight |
457.614
|
||||||||||||||||||
| Canonical SMILES |
OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35NO3/c32-27(22-31-19-17-26(18-20-31)21-25-11-5-2-6-12-25)23-34-30-14-8-7-13-28(30)29(33)16-15-24-9-3-1-4-10-24/h1-14,26-27,32H,15-23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLRJADSWYSEKOR-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