COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074886
Chemical Name: (6Z)-6-(5-bromo-2-{2-[4-(butan-2-yl)phenoxy]ethoxy}benzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1sc2=NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccc(cc3)C(CC)C)/C(=N)n2n1

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Molecular Weight: 555.5
Empirical Formula: C26H27BrN4O3S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 6.02
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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