COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK619510
Chemical Name: (3aS,4S,4aR,7aS,8S,8aS)-6-(naphthalen-2-yl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1ccc2c(c1)cccc2)[C@H]1[C@@H]3C(=NO1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 453.45
Empirical Formula: C26H19N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.258
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 104
Number of rings: 7

     

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