COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013847
Chemical Name: 4-[(Z)-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl3-nitrobenzoate
Smiles: S=C1S/C(=C\c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)N1c1ccccc1

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Molecular Weight: 462.51
Empirical Formula: C23H14N2O5S2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 5.739
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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