COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551236
Chemical Name: (6aS,6bR,9aS,10R)-N-(4-nitrophenyl)-7,9-dioxo-8-[3-(trifluoromethyl)phenyl]-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 548.48
Empirical Formula: C28H19F3N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.274
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 6

     

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