General Information of the Compound
| Compound ID |
CP0553754
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4-difluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30F2N2O
|
||||||||||||||||||
| Molecular Weight |
352.469
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30F2N2O/c21-20(22)9-14-24(15-10-20)17-18-5-7-19(8-6-18)25-16-4-13-23-11-2-1-3-12-23/h5-8H,1-4,9-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIONPKRWAPSZLI-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