COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK699647
Chemical Name: 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 449.02
Empirical Formula: C22H29ClN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.252
Rotatable bonds: 10
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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