COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527937
Chemical Name: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 344.82
Empirical Formula: C13H17ClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.676
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 101
Number of rings: 2

     

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