COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078432
Chemical Name: 7-butyl-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 342.85
Empirical Formula: C14H19ClN4O2S

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 4.26
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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