General Information of the Compound
| Compound ID |
CP0873393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38F2N2O3
|
||||||||||||||||||
| Molecular Weight |
488.619
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1ccc(F)cc1CCN1CCC(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38F2N2O3/c1-20(2)28(22-4-6-24(29)7-5-22)31-27(33)18-21-10-13-32(14-11-21)15-12-23-19-25(30)8-9-26(23)35-17-16-34-3/h4-9,19-21,28H,10-18H2,1-3H3,(H,31,33)/t28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCQQQWZWNKLLFH-MUUNZHRXSA-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