COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035424
Chemical Name: 2-[(5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C1=O)C(=O)O

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Molecular Weight: 452.9
Empirical Formula: C18H13ClN2O6S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.153
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 173
Number of rings: 3

     

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