COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833587
Chemical Name: 8-[(2E)-but-2-en-1-ylsulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SC/C=C/C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 310.38
Empirical Formula: C13H18N4O3S

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 1.991
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 101
Number of rings: 2

     

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