COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK088874
Chemical Name: (6E)-2-butyl-6-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1sc2=NC(=O)/C(=C/c3ccc(c(c3)OC)OCCOc3cc(C)cc(c3)CC)/C(=N)n2n1

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Molecular Weight: 520.65
Empirical Formula: C28H32N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.393
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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