General Information of the Compound
| Compound ID |
CP0376775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-acetylthiophen-2-yl)chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10O3S
|
||||||||||||||||||
| Molecular Weight |
270.309
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(s1)-c1ccc2oc(=O)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10O3S/c1-9(16)13-5-6-14(19-13)11-2-4-12-10(8-11)3-7-15(17)18-12/h2-8H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GERAGFCKSZQWNG-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