COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112009
Chemical Name: methyl(2E)-{(2Z)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Smiles: N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccc(cc1)Br)/C(=O)NC

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Molecular Weight: 422.26
Empirical Formula: C16H12BrN3O4S

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 0.638
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 2

     

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