COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022730
Chemical Name: 2-[(5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C1=O)C(=O)O

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Molecular Weight: 498.99
Empirical Formula: C19H15ClN2O6S3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.673
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 199
Number of rings: 3

     

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