COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK861794
Chemical Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3ccc4c(c3)OCO4)/C2=O)ccc1OC

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Molecular Weight: 429.52
Empirical Formula: C21H19NO5S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 3.919
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 4

     

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