1-(1,2-Dimethoxy-12-Methyl-13H-[1,3]Benzodioxolo[5,6-C]Phenanthridin-13-Yl)Propan-2-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3810342 | |
| PubChem: | 443700 | |
| IUPAC: | 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one | |
| Standard InChI: | InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3 | |
| Standard InChI Key: | VGTQLFWIJIABSU-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)ccc2c1C(CC(=O)C)N(C)c1c2ccc2c1cc1OCOc1c2 | |
Molecular propeties
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| AlogP: | 4.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 5 | |
| Molecular Weight: | 405.16 | |
| Topological polar surface area: | 57.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.292 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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