COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064582
Chemical Name: (6Z)-2-butyl-6-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCc3ccc(cc3)F)/C(=N)n2n1

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Molecular Weight: 500.98
Empirical Formula: C24H22ClFN4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.759
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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