COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834422
Chemical Name: ethyl{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

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Molecular Weight: 453.32
Empirical Formula: C17H17BrN4O4S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 3.81
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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