COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809039
Chemical Name: 5,5-dimethyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}cyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1=Cc1ccc(o1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 339.35
Empirical Formula: C19H17NO5

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 3.651
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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