COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701602
Chemical Name: 4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-methoxyphenyl4-nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC

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Molecular Weight: 580.64
Empirical Formula: C28H24N2O8S2

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 5.118
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 177
Number of rings: 4

     

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