General Information of the Compound
| Compound ID |
CP0887481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-(5-methyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yloxy)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17NO5S
|
||||||||||||||||||
| Molecular Weight |
359.403
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)COc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17NO5S/c1-4-22-15(20)8-23-12-5-10(2)16-14(6-12)24-7-13(17(16)21)18-19-11(3)9-25-18/h5-7,9H,4,8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEVDHGMJFRLHBT-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