COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096476
Chemical Name: (6Z)-2-butyl-6-{3-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C\c3cccc(c3)OCCOc3cc(C)cc(c3)C)/C2=N)s1

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Molecular Weight: 476.6
Empirical Formula: C26H28N4O3S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 5.01
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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