Polysin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1083627 | |
| PubChem: | 46871703 | |
| IUPAC: | (1R,12S,13S,18R)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,9-tetraen-16-one | |
| Standard InChI: | InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19-,22-,23+/m0/s1 | |
| Standard InChI Key: | NEPLKJAINOWIJL-DHNNRRLOSA-N | |
| SMILES: | O=C1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@H]2Cc2n1c1c(c2)cccc1)C)C | |
Molecular propeties
| ||
| AlogP: | 5.33 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 335.22 | |
| Topological polar surface area: | 22 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.609 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|