COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099870
Chemical Name: (6Z)-6-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Br)OCc3ccccc3F)/C2=N)s1

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Molecular Weight: 487.35
Empirical Formula: C21H16BrFN4O2S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 3.661
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 4

     

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