COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385572
Chemical Name: (6Z)-6-(2-bromobenzylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccccc3Br)/C2=N)s1

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Molecular Weight: 433.37
Empirical Formula: C19H21BrN4OS

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.804
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 94
Number of rings: 3

     

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