COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK703555
Chemical Name: 3-[(5E)-5-{[3-(4-bromophenyl)-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(nc2c2ccc(cc2)Br)c2ccccc2)/C1=O

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Molecular Weight: 514.42
Empirical Formula: C22H16BrN3O3S2

Physical State: Dry powder
Available Amount: 449 mg

Lipinsky:
logP: 4.634
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 132
Number of rings: 4

     

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