General Information of the Compound
| Compound ID |
CP0461685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{5-acetyl-2-[2-hydroxy-3-(4-o-tolyl-piperazin-1-yl)-propoxy]-4-methyl-phenyl}-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O4
|
||||||||||||||||||
| Molecular Weight |
424.541
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cc(C(C)=O)c(OCC(O)CN2CCN(CC2)c2ccccc2C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O4/c1-17-7-5-6-8-24(17)27-11-9-26(10-12-27)15-21(30)16-31-25-13-18(2)22(19(3)28)14-23(25)20(4)29/h5-8,13-14,21,30H,9-12,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHSQRVVTVSSMCS-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