COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376515
Chemical Name: 3-[(E)-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl3,5-dinitrobenzoate
Smiles: S=C1S/C(=C/c2cccc(c2)OC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/C(=O)N1c1ccccc1

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Molecular Weight: 507.5
Empirical Formula: C23H13N3O7S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.588
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 195
Number of rings: 4

     

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