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| Ligand Name: N-acetyl cyclophellitol aziridine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB198 |
PubChem:
132568610
|
Synonym(s):
- j3.524.504i
- (1beta,6beta)-7-acetyl-2beta-methyl-7-azabicyclo[4.1.0]heptane-3beta,4beta,5alpha-triol
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C(C)N1[C@@H]([C@@H]12)[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O |
| Standard InChI: InChI=1S/C9H15NO4/c1-3-5-6(10(5)4(2)11)8(13)9(14)7(3)12/h3,5-9,12-14H,1-2H3/t3-,5-,6-,7-,8-,9-,10?/m1/s1 |
| Molecular Formula: C9H15NO4 |
Mol. Weight: 201.10011 |
logP: -1.6819 |
| HBD: 3 | HBA: 4 |
| #Rotatable Bonds: 0 | TPSA: 80.77 |