General Information of the Compound
| Compound ID |
CP0903441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-3-[Bis(4-fluorophenyl)methyl]-1-(2,5-dimethoxybenzyl)piperidin-4-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClF2NO3
|
||||||||||||||||||
| Molecular Weight |
487.974
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F2NO3.ClH/c1-32-23-11-12-26(33-2)20(15-23)16-30-14-13-25(31)24(17-30)27(18-3-7-21(28)8-4-18)19-5-9-22(29)10-6-19;/h3-12,15,24,27H,13-14,16-17H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWIRXQINIUVROA-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