COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008379
Chemical Name: 8-bromo-3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1nnc(s1)SCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 417.31
Empirical Formula: C12H13BrN6O2S2

Available Amount: 0 mg

Lipinsky:
logP: 2.467
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 146
Number of rings: 3

     

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