General Information of the Compound
| Compound ID |
CP0477488
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-difluoro-1-(4-((6-(4-(propylsulfonyl)piperazin-1-yl)pyridin-3-yloxy)methyl)piperidin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30F2N4O4S
|
||||||||||||||||||
| Molecular Weight |
460.547
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)C(F)F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30F2N4O4S/c1-2-13-31(28,29)26-11-9-24(10-12-26)18-4-3-17(14-23-18)30-15-16-5-7-25(8-6-16)20(27)19(21)22/h3-4,14,16,19H,2,5-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYUKEXGSOFPCPC-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