General Information of the Compound
| Compound ID |
CP0525735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(2-fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29FN4O3S
|
||||||||||||||||||
| Molecular Weight |
412.531
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29FN4O3S/c1-22(16-9-13-24(14-10-16)28(2,26)27)19(25)21-15-7-11-23(12-8-15)18-6-4-3-5-17(18)20/h3-6,15-16H,7-14H2,1-2H3,(H,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLPSDTODEMUFGN-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