COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428652
Chemical Name: 2-[5-(diethylamino)-2-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy]-N-(3-nitrophenyl)acetamide
Smiles: C=CCN1C(=S)S/C(=C/c2ccc(cc2OCC(=O)Nc2cccc(c2)[N+](=O)[O-])N(CC)CC)/C1=O

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Molecular Weight: 526.64
Empirical Formula: C25H26N4O5S2

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 5.276
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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