COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706285
Chemical Name: 3-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/C1=O

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Molecular Weight: 480.52
Empirical Formula: C22H16N4O5S2

Physical State: Dry powder
Available Amount: 346 mg

Lipinsky:
logP: 3.259
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 178
Number of rings: 4

     

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