General Information of the Compound
| Compound ID |
CP0459706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methylphenyl)butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26ClNO2
|
||||||||||||||||||
| Molecular Weight |
371.908
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26ClNO2/c1-17-5-2-3-6-20(17)21(25)7-4-14-24-15-12-22(26,13-16-24)18-8-10-19(23)11-9-18/h2-3,5-6,8-11,26H,4,7,12-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNKFKUPQFLVBHA-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