General Information of the Compound
| Compound ID |
CP0543813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(2-thiophen-2-yl-phenyl)-propenone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14O3S
|
||||||||||||||||||
| Molecular Weight |
322.385
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccccc2-c2cccs2)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14O3S/c20-16(9-7-13-8-10-17(21)18(22)12-13)14-4-1-2-5-15(14)19-6-3-11-23-19/h1-12,21-22H/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEPLWPIXSCGFIM-VQHVLOKHSA-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