General Information of the Compound
| Compound ID |
CP0433810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(Acetylamino-methyl)-phenyl]-2-oxoethyl Ethyl Trithiocarbonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17NO2S3
|
||||||||||||||||||
| Molecular Weight |
327.496
|
||||||||||||||||||
| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(CNC(C)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H17NO2S3/c1-3-19-14(18)20-9-13(17)12-6-4-11(5-7-12)8-15-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMQROAYESWRZHI-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