General Information of the Compound
| Compound ID |
CP0533954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C29H33N3O4S
|
||||||||||||||||||
| Molecular Weight |
519.667
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N3O4S/c1-30-7-9-31(10-8-30)11-16-35-24-5-6-27-22(18-24)17-21-3-2-4-25(29(21)37-27)26-19-23(33)20-28(36-26)32-12-14-34-15-13-32/h2-6,18-20H,7-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXPDVXGQVNCQJM-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