COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094370
Chemical Name: (6E)-6-(3-bromo-4-hydroxybenzylidene)-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)Br)O)/C2=N)s1

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Molecular Weight: 421.32
Empirical Formula: C17H17BrN4O2S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.483
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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