COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994635
Chemical Name: 2-hydroxy-4-[(3-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O

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Molecular Weight: 468.55
Empirical Formula: C23H20N2O5S2

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 4.166
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 164
Number of rings: 3

     

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