General Information of the Compound
| Compound ID |
CP0509291
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dimethyl-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14N2O5S
|
||||||||||||||||||
| Molecular Weight |
382.397
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(C)C(=O)C(=Cc2ccc(s2)-c2ccc3C(=O)OCc3c2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14N2O5S/c1-20-16(22)14(17(23)21(2)19(20)25)8-12-4-6-15(27-12)10-3-5-13-11(7-10)9-26-18(13)24/h3-8H,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSWWNGMRAACSGJ-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