General Information of the Compound
| Compound ID |
CP0572699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3,4-dihydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14O3S
|
||||||||||||||||||
| Molecular Weight |
286.352
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14O3S/c1-20-13-6-4-12(5-7-13)14(17)8-2-11-3-9-15(18)16(19)10-11/h2-10,18-19H,1H3/b8-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
APJKNHDUMFSYLM-KRXBUXKQSA-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