COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035232
Chemical Name: 2-{(5Z)-5-[4-(dimethylamino)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-phenylpropanoicacid
Smiles: OC(=O)C(N1C(=S)S/C(=C\c2ccc(cc2)N(C)C)/C1=O)Cc1ccccc1

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Molecular Weight: 412.53
Empirical Formula: C21H20N2O3S2

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 4.392
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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