General Information of the Compound
| Compound ID |
CP0428054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[1-[3-[4-(methanesulfonamido)phenyl]-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41N3O5S2
|
||||||||||||||||||
| Molecular Weight |
611.83
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41N3O5S2/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(2,37)38)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33-42(3,39)40/h5-17,29,31,33H,4,18-24H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIJRVERIGYOJGY-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