COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534178
Chemical Name: N'-{4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}-3-nitrobenzohydrazide
Smiles: O=C(NNC(=O)c1cccc(c1)[N+](=O)[O-])CCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

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Molecular Weight: 484.56
Empirical Formula: C22H20N4O5S2

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 3.024
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 181
Number of rings: 3

     

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