Arborine
Representations & DB's id
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| ChEBI: | CHEBI:2803 | |
|---|---|---|
| ChEMBL: | CHEMBL448122 | |
| PubChem: | 63123 | |
| IUPAC: | 2-benzyl-1-methylquinazolin-4-one | |
| Standard InChI: | InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 | |
| Standard InChI Key: | XVPZRKIQCKKYNE-UHFFFAOYSA-N | |
| SMILES: | O=c1nc(Cc2ccccc2)n(c2c1cccc2)C | |
Molecular propeties
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| AlogP: | 2.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 250.11 | |
| Topological polar surface area: | 32.7 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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