COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700827
Chemical Name: 7-[(2E)-but-2-en-1-yl]-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(SC/C=C(\Cl)/C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 340.83
Empirical Formula: C14H17ClN4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.017
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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