COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838278
Chemical Name: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 340.83
Empirical Formula: C14H17ClN4O2S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.204
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 2

     

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