COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK822090
Chemical Name: (2Z)-4,4,4-trifluoro-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1-phenylbutane-1,3-dione
Smiles: O=C(/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)C(F)(F)F)c1ccccc1

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Molecular Weight: 415.33
Empirical Formula: C21H12F3NO5

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 7.282
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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