General Information of the Compound
| Compound ID |
CP0120333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33NO5
|
||||||||||||||||||
| Molecular Weight |
427.541
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(CC(=O)N1CC(C)CC(C)C1)c1c(O)cc(OC)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33NO5/c1-16-10-17(2)15-26(14-16)24(28)13-21(18-6-8-19(29-3)9-7-18)25-22(27)11-20(30-4)12-23(25)31-5/h6-9,11-12,16-17,21,27H,10,13-15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOUYMHDDFNCEJM-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