General Information of the Compound
| Compound ID |
CP0546303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-butoxy-4-tert-butylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35FN2O4S
|
||||||||||||||||||
| Molecular Weight |
478.63
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35FN2O4S/c1-7-8-13-32-23-15-20(25(3,4)5)11-9-19(23)16-27-24(29)17(2)18-10-12-22(21(26)14-18)28-33(6,30)31/h9-12,14-15,17,28H,7-8,13,16H2,1-6H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFIAWNBCRKYLIZ-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