COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529084
Chemical Name: 7-[(2E)-but-2-en-1-yl]-8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/CSc1nc2c(n1C/C=C/C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 306.39
Empirical Formula: C14H18N4O2S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.332
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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