General Information of the Compound
| Compound ID |
CP0461690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy)phenyl)-3-(naphthalen-1-yl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35NO4
|
||||||||||||||||||
| Molecular Weight |
509.646
|
||||||||||||||||||
| Canonical SMILES |
OC(COc1ccccc1C(=O)CCc1cccc2ccccc12)CN1CCC(O)(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35NO4/c35-28(23-34-21-19-33(37,20-22-34)27-12-2-1-3-13-27)24-38-32-16-7-6-15-30(32)31(36)18-17-26-11-8-10-25-9-4-5-14-29(25)26/h1-16,28,35,37H,17-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVSXFDQTCYVKHH-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