General Information of the Compound
| Compound ID |
CP0514932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 2-[3-(2-fluoro-4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonane-7-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34FNO5S
|
||||||||||||||||||
| Molecular Weight |
455.592
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC(CCCOc3ccc(cc3F)S(C)(=O)=O)C2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34FNO5S/c1-22(2,3)30-21(26)25-11-9-23(10-12-25)15-17(16-23)6-5-13-29-20-8-7-18(14-19(20)24)31(4,27)28/h7-8,14,17H,5-6,9-13,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHHVAJORHRJVKQ-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