COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL449024
Chemical Name: 3-[(5E)-5-{[3-(4-methylphenyl)-1-phenyl-1H-1,2,4-triazol-5-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C/c2nc(nn2c2ccccc2)c2ccc(cc2)C)/C1=O

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Molecular Weight: 450.54
Empirical Formula: C22H18N4O3S2

Available Amount: 0 mg

Lipinsky:
logP: 4.056
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 145
Number of rings: 4

     

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