| Phytochemical Name : 3-[[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one |
| PCNDIDOT0746 |
| Pubchem CID : 431195 |
| Molecular formula: C16H19N3O3 |
| Canonical SMILES : C1CC2C(CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1 |
Synonymes : Isofebrifugine|32434-44-9|3-[(2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl)methyl]quinazolin-4-one|3-[[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one|ISOFEBRIFUGINE (B604866K055)|CHEMBL105789|C10698|SureCN12033795|DTXSID60954191|NSC290495|NSC-290495|FT-0777698|3-[(2-Hydroxyoctahydrofuro[3,2-b]pyridin-2-yl)methyl]quinazolin-4(3H)-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.620 |
| Log Po/w (XLOGP3) : 0.360 |
| Log Po/w (WLOGP) : 0.250 |
| Log Po/w (MLOGP) : 0.870 |
| Log Po/w (SILICOS-IT) : 1.200 |
| Consensus Log Po/w : 1.060 |