General Information of the Compound
| Compound ID |
CP0272611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-2-(4-methylsulfonylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
468.541
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27F3N2O3S/c1-27(22(29)15-17-5-9-21(10-6-17)32(2,30)31)20-11-13-28(14-12-20)16-18-3-7-19(8-4-18)23(24,25)26/h3-10,20H,11-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBCYIDQCUJDTIC-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