COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700118
Chemical Name: 8-bromo-3-methyl-7-{3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 553.44
Empirical Formula: C20H25BrN8O4S

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 3.835
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 159
Number of rings: 4

     

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