General Information of the Compound
| Compound ID |
CP0329861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-butyl-N-[(4-methylsulfinylphenyl)methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23NO2S
|
||||||||||||||||||
| Molecular Weight |
329.465
|
||||||||||||||||||
| Canonical SMILES |
C[S+]([O-])c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23NO2S/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(12-6-14)23(4)22/h5-12H,13H2,1-4H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLCXYIFYXJGKOW-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