COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821720
Chemical Name: 4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl3-nitrobenzoate
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3cccc(c3)[N+](=O)[O-])/C2=O)ccc1OC

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Molecular Weight: 550.61
Empirical Formula: C27H22N2O7S2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 5.08
Rotatable bonds: 7
H-donors: 0
H-acceptors: 7
PSA: 168
Number of rings: 4

     

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