COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522225
Chemical Name: 1-{[(3Z,5E)-2-methoxy-6-(phenylsulfonyl)hexa-3,5-dien-3-yl]sulfonyl}-4-nitrobenzene
Smiles: COC(/C(=C/C=C/S(=O)(=O)c1ccccc1)/S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 437.49
Empirical Formula: C19H19NO7S2

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 2.481
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 140
Number of rings: 2

     

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