COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007816
Chemical Name: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-acetylphenyl)-3-(3-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 447.4
Empirical Formula: C23H17N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.771
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 131
Number of rings: 6

     

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