COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811313
Chemical Name: (5E)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1/C=C/C=C\1/SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2

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Molecular Weight: 411.5
Empirical Formula: C21H17NO4S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 3.36
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 105
Number of rings: 4

     

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