COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531226
Chemical Name: 4-nitro-N'-(4-{(5E)-5-[3-(4-{2-[(4-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoyl)benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1)[N+](=O)[O-])CCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCC(=O)NNC(=O)c2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 760.81
Empirical Formula: C28H24N8O10S4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: -0.355
Rotatable bonds: 10
H-donors: 4
H-acceptors: 10
PSA: 363
Number of rings: 4

     

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