COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073638
Chemical Name: (6Z)-6-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OCC)OCc3ccc(cc3)F)/C(=N)n2n1

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Molecular Weight: 601.54
Empirical Formula: C28H30BrFN4O3S

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 6.851
Rotatable bonds: 11
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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