General Information of the Compound
| Compound ID |
CP0497850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Phenoxyethyl 2-(4-methoxyphenyl)-2-oxoethyl trithiocarbonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18O3S3
|
||||||||||||||||||
| Molecular Weight |
378.54
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)CSC(=S)SCCOc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18O3S3/c1-20-15-9-7-14(8-10-15)17(19)13-24-18(22)23-12-11-21-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZQQTDOTLQIURV-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