General Information of the Compound
| Compound ID |
CP0925254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Octadecansulfinyl-5,8-dimethoxy-1,4-naphthoquinone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H46O5S
|
||||||||||||||||||
| Molecular Weight |
518.76
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCCCC[S+]([O-])C1=CC(=O)c2c(OC)ccc(OC)c2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H46O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36(33)27-23-24(31)28-25(34-2)20-21-26(35-3)29(28)30(27)32/h20-21,23H,4-19,22H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDVSJILUJYQXRX-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