COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821690
Chemical Name: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-iodophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3ccc(cc3)I)c3ccccc3)/C2=O)ccc1OC

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Molecular Weight: 653.56
Empirical Formula: C29H24IN3O3S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.859
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 5

     

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