COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL071379
Chemical Name: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1OC)/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2

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Molecular Weight: 415.49
Empirical Formula: C20H17NO5S2

Physical State: Dry powder
Available Amount: 233 mg

Lipinsky:
logP: 3.387
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 4

     

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