COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994452
Chemical Name: N'-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-3-nitrobenzohydrazide
Smiles: O=C(NNC(=O)c1cccc(c1)[N+](=O)[O-])CCN1C(=S)S/C(=C\c2ccc(cc2)Cl)/C1=O

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Molecular Weight: 490.95
Empirical Formula: C20H15ClN4O5S2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 2.872
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 181
Number of rings: 3

     

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