General Information of the Compound
| Compound ID |
CP0545262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfonyl]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19F2N3O4S2
|
||||||||||||||||||
| Molecular Weight |
431.486
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OC(F)(F)Oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19F2N3O4S2/c1-21-9-6-20-16(21)27-11-12-4-7-22(8-5-12)28(23,24)13-2-3-14-15(10-13)26-17(18,19)25-14/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCGQDMFXDSWHSZ-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 | |||||||||||||||||||
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