COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL120703
Chemical Name: 2-[(5E)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: OC(=O)CC(N1C(=S)S/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O)C(=O)O

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Molecular Weight: 448.43
Empirical Formula: C18H12N2O8S2

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 2.973
Rotatable bonds: 8
H-donors: 2
H-acceptors: 8
PSA: 211
Number of rings: 3

     

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