General Information of the Compound
Compound ID |
CP0917280
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
rac-3-[Bis(4-fluorophenyl)methyl]-1-(5-fluoro-2-methoxybenzyl)piperidin-4-one hydrochloride
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C26H25ClF3NO2
|
||||||||||||||||||
Molecular Weight |
475.938
|
||||||||||||||||||
Canonical SMILES |
COc1ccc(F)cc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C26H24F3NO2.ClH/c1-32-25-11-10-22(29)14-19(25)15-30-13-12-24(31)23(16-30)26(17-2-6-20(27)7-3-17)18-4-8-21(28)9-5-18;/h2-11,14,23,26H,12-13,15-16H2,1H3;1H
Show/Hide
|
||||||||||||||||||
InChIKey |
SJWHUSWHLIZVPV-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