COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011998
Chemical Name: 3-{[(2Z,5E)-5-(4-bromo-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)/N=C/1\S/C(=C/c2ccc(c(c2)[N+](=O)[O-])Br)/C(=O)N1C

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Molecular Weight: 462.28
Empirical Formula: C18H12BrN3O5S

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 4.772
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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