COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL024272
Chemical Name: (2Z)-5-butyl-3-(2-methylbenzyl)-2-[(2E)-(3-nitrobenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
Smiles: CCCCC1S/C(=N\N=C\c2cccc(c2)[N+](=O)[O-])/N(C1=O)Cc1ccccc1C

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Molecular Weight: 424.52
Empirical Formula: C22H24N4O3S

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 6.191
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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