General Information of the Compound
| Compound ID |
CP0436202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]phenyl]-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H45N3O4S
|
||||||||||||||||||
| Molecular Weight |
651.873
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H45N3O4S/c1-3-42(39(44)29-31-14-20-36(21-15-31)47(2,45)46)35-22-25-41(26-23-35)27-24-37(32-12-8-5-9-13-32)33-16-18-34(19-17-33)40-38(43)28-30-10-6-4-7-11-30/h4-21,35,37H,3,22-29H2,1-2H3,(H,40,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYRSQAWWJXJDBF-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