COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042714
Chemical Name: (5E)-5-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2ccccc2F)/C1=O

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Molecular Weight: 449.3
Empirical Formula: C19H14BrFN2O3S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.789
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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