COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035567
Chemical Name: (5E)-5-(2,3-dimethoxybenzylidene)-3-[(2,4-dinitrophenyl)amino]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1c(cccc1OC)/C=C\1/SC(=S)N(C1=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 462.46
Empirical Formula: C18H14N4O7S2

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 4.812
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 199
Number of rings: 3

     

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