Robustine
Representations & DB's id
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| ChEBI: | CHEBI:8883 | |
|---|---|---|
| ChEMBL: | CHEMBL402862 | |
| PubChem: | 164950 | |
| IUPAC: | 4-methoxyfuro[2,3-b]quinolin-8-ol | |
| Standard InChI: | InChI=1S/C12H9NO3/c1-15-11-7-3-2-4-9(14)10(7)13-12-8(11)5-6-16-12/h2-6,14H,1H3 | |
| Standard InChI Key: | VGVNNMLKTSWBAR-UHFFFAOYSA-N | |
| SMILES: | COc1c2cccc(c2nc2c1cco2)O | |
Molecular propeties
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| AlogP: | 2.7 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 215.06 | |
| Topological polar surface area: | 55.5 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.083 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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