COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK921605
Chemical Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-[(4-nitrobenzyl)oxy]-1-benzofuran-3(2H)-one
Smiles: O=C1/C(=C/c2sccc2C)/Oc2c1ccc(c2)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 393.42
Empirical Formula: C21H15NO5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.104
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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