General Information of the Compound
| Compound ID |
CP0514635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
490.547
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CNCc3ccc(cc3)C(F)(F)F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N2O3S/c1-2-34(32,33)23-13-7-18(8-14-23)15-24(31)30-22-11-5-20(6-12-22)17-29-16-19-3-9-21(10-4-19)25(26,27)28/h3-14,29H,2,15-17H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUGSWBVVQAMLIF-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