COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588827
Chemical Name: (3aR,4R,4aR,7aS,8R,8aR)-3-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 471.39
Empirical Formula: C23H16F3N3O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.599
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 104
Number of rings: 6

     

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