COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK645458
Chemical Name: 8-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-hexyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCn1c(SCC(=O)c2ccc(cc2)Br)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 479.4
Empirical Formula: C20H23BrN4O3S

Available Amount: 0 mg

Lipinsky:
logP: 5.18
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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