COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743979
Chemical Name: 8-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(SCc2cc3OCOc3cc2Br)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 453.32
Empirical Formula: C17H17BrN4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.414
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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