COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418737
Chemical Name: (5Z)-5-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ylidene]-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\C=C\c2ccc3c(c2)OCO3)/C(=O)N1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 412.45
Empirical Formula: C19H12N2O5S2

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 4.102
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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