COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056939
Chemical Name: (6Z)-6-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCCOc3ccc(c(c3)C)C)/C(=N)n2n1

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Molecular Weight: 527.04
Empirical Formula: C26H27ClN4O4S

Physical State: Dry powder
Available Amount: 413 mg

Lipinsky:
logP: 5.117
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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