COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799033
Chemical Name: (5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3ccc(cc3)OCc3ccccc3)c3ccccc3)/C2=O)ccc1OC

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Molecular Weight: 633.79
Empirical Formula: C36H31N3O4S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 7.323
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 123
Number of rings: 6

     

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