COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531548
Chemical Name: 2-(dimethylamino)ethyl3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Smiles: CN(CCOC(=O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/C1=O)C

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Saltdata: HCl
Molecular Weight: 408.5
Empirical Formula: C18H20N2O5S2

Physical State: Dry powder
Available Amount: 351 mg

Lipinsky:
logP: 2.412
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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