COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809253
Chemical Name: 4-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl3-nitrobenzoate
Smiles: CCCCCCN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 470.57
Empirical Formula: C23H22N2O5S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.808
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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