General Information of the Compound
| Compound ID |
CP0403411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-Chloro-phenyl)-1-[4-(4-methoxy-phenyl)-4-phenyl-butyl]-piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32ClNO2
|
||||||||||||||||||
| Molecular Weight |
450.022
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32ClNO2/c1-32-26-15-9-23(10-16-26)27(22-6-3-2-4-7-22)8-5-19-30-20-17-28(31,18-21-30)24-11-13-25(29)14-12-24/h2-4,6-7,9-16,27,31H,5,8,17-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTTPNSUBWNUHRU-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