COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046780
Chemical Name: 2-methoxy-4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl4-nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)NC1=O

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Molecular Weight: 416.44
Empirical Formula: C18H12N2O6S2

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 3.066
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 167
Number of rings: 3

     

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