COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028075
Chemical Name: (6E)-2-butyl-6-{3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OCC)OCCOc3ccccc3OC)/C2=N)s1

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Molecular Weight: 522.63
Empirical Formula: C27H30N4O5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.295
Rotatable bonds: 12
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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