COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542586
Chemical Name: (3aR,6aS)-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)ON=C2c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 405.29
Empirical Formula: C18H10F3N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.228
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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