COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374881
Chemical Name: (5E)-5-(5-bromo-3-chloro-2-hydroxybenzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(Br)cc(c2O)Cl)/C1=O

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Molecular Weight: 481.75
Empirical Formula: C19H14BrClN2O4S

Physical State: Dry powder
Available Amount: 1213 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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