General Information of the Compound
| Compound ID |
CP0534725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(7'-methoxyspiro[oxane-4,9'-thioxanthene]-4'-yl)-6-morpholin-4-ylpyran-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C27H27NO5S
|
||||||||||||||||||
| Molecular Weight |
477.582
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2Sc3c(cccc3C3(CCOCC3)c2c1)-c1cc(=O)cc(o1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27NO5S/c1-30-19-5-6-24-22(17-19)27(7-11-31-12-8-27)21-4-2-3-20(26(21)34-24)23-15-18(29)16-25(33-23)28-9-13-32-14-10-28/h2-6,15-17H,7-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDIFJUCKYVSPSQ-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 | |||||||||||||||||||
| 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