COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007713
Chemical Name: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-methylphenyl)-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: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 419.39
Empirical Formula: C22H17N3O6

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.784
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 6

     

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