General Information of the Compound
| Compound ID |
CP0088540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-1-Cyclobutyl-4-[4-(8-methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31NO5S
|
||||||||||||||||||
| Molecular Weight |
457.592
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31NO5S/c1-17-24(31-25-22(29-2)7-4-8-23(25)32(17,27)28)18-9-11-20(12-10-18)30-21-13-15-26(16-14-21)19-5-3-6-19/h4,7-12,17,19,21,24H,3,5-6,13-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCWCOECPJGISBA-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