COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076942
Chemical Name: (6E)-6-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzylidene}-2-butyl-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)OC)OCCOc3ccc(cc3)Br)/C2=N)s1

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Molecular Weight: 557.47
Empirical Formula: C25H25BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.973
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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