(3Z)-3-[[6-[2-(Dimethylamino)Ethyl]-4-Methoxy-1,3-Benzodioxol-5-Yl]Methylidene]-6,7-Dimethoxyisoindol-1-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1979699 | |
| PubChem: | 5459241 | |
| IUPAC: | (3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one | |
| Standard InChI: | InChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11- | |
| Standard InChI Key: | FNVOXTXQQPJYRS-WJDWOHSUSA-N | |
| SMILES: | COc1c(/C=C/2N=C(c3c2ccc(c3OC)OC)O)c(CCN(C)C)cc2c1OCO2 | |
Molecular propeties
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| AlogP: | 2.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 4 | |
| Molecular Weight: | 426.18 | |
| Topological polar surface area: | 78.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.391 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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