General Information of the Compound
| Compound ID |
CP0464357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(2-hydroxy-3-(4-(4-methoxyphenyl)piperazin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N2O4
|
||||||||||||||||||
| Molecular Weight |
474.601
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N2O4/c1-34-26-14-12-24(13-15-26)31-19-17-30(18-20-31)21-25(32)22-35-29-10-6-5-9-27(29)28(33)16-11-23-7-3-2-4-8-23/h2-10,12-15,25,32H,11,16-22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKKOAQAPFLBSMV-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