General Information of the Compound
| Compound ID |
CP0517393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-1-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29FN2O
|
||||||||||||||||||
| Molecular Weight |
320.452
|
||||||||||||||||||
| Canonical SMILES |
FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29FN2O/c20-18-8-13-22(14-9-18)16-17-4-6-19(7-5-17)23-15-3-12-21-10-1-2-11-21/h4-7,18H,1-3,8-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFIUBCONEIWSRO-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