COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK235812
Chemical Name: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)Cc2ccc3c(c2)OCO3)cc(c1OC)OC

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Molecular Weight: 445.52
Empirical Formula: C21H19NO6S2

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 3.149
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 123
Number of rings: 4

     

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