General Information of the Compound
| Compound ID |
CP0429718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-fluoro-N-[1-[1-(2-propan-2-ylphenoxy)propan-2-yl]piperidin-4-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31FN2O3S
|
||||||||||||||||||
| Molecular Weight |
434.577
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1OCC(C)N1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31FN2O3S/c1-17(2)22-9-4-5-10-23(22)29-16-18(3)26-13-11-20(12-14-26)25-30(27,28)21-8-6-7-19(24)15-21/h4-10,15,17-18,20,25H,11-14,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKAFOYKPULJLPN-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