Vertilecanin A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL459095 | |
| PubChem: | 10263201 | |
| IUPAC: | 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C13H11NO3/c15-12(9-4-2-1-3-5-9)10-6-7-11(13(16)17)14-8-10/h1-8,12,15H,(H,16,17)/t12-/m1/s1 | |
| Standard InChI Key: | BMTGCDDXYNEVRV-GFCCVEGCSA-N | |
| SMILES: | O[C@H](c1ccccc1)c1ccc(nc1)C(=O)O | |
Molecular propeties
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| AlogP: | 1.86 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 229.07 | |
| Topological polar surface area: | 70.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.077 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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