COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678297
Chemical Name: (6Z)-6-(3-ethoxy-4-hydroxybenzylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1sc2=NC(=O)/C(=C\c3ccc(c(c3)OCC)O)/C(=N)n2n1

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Molecular Weight: 414.53
Empirical Formula: C21H26N4O3S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.792
Rotatable bonds: 10
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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