General Information of the Compound
| Compound ID |
CP0459065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29FN2O4S
|
||||||||||||||||||
| Molecular Weight |
484.593
|
||||||||||||||||||
| Canonical SMILES |
OC(COc1ccccc1-c1ccccc1)CN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29FN2O4S/c27-21-10-12-24(13-11-21)34(31,32)28-22-14-16-29(17-15-22)18-23(30)19-33-26-9-5-4-8-25(26)20-6-2-1-3-7-20/h1-13,22-23,28,30H,14-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHDMDAXTGFHNKZ-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