Monolupine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL509692 | |
| PubChem: | 5351589 | |
| IUPAC: | (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one | |
| Standard InChI: | InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13-/m1/s1 | |
| Standard InChI Key: | FQEQMASDZFXSJI-JHJVBQTASA-N | |
| SMILES: | O=c1cccc2n1C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2 | |
Molecular propeties
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| AlogP: | 1.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 244.16 | |
| Topological polar surface area: | 23.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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