COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118685
Chemical Name: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1Cc1ccc2c(c1)OCO2

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Molecular Weight: 400.44
Empirical Formula: C18H12N2O5S2

Physical State: Dry powder
Available Amount: 253 mg

Lipinsky:
logP: 3.339
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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