General Information of the Compound
| Compound ID |
CP0558690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[7-[(2S)-2-hydroxypropoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C25H25NO5S
|
||||||||||||||||||
| Molecular Weight |
451.544
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](O)COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25NO5S/c1-16(27)15-30-20-5-6-23-18(12-20)11-17-3-2-4-21(25(17)32-23)22-13-19(28)14-24(31-22)26-7-9-29-10-8-26/h2-6,12-14,16,27H,7-11,15H2,1H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGUJFZGHWXTQGW-INIZCTEOSA-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