COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK844196
Chemical Name: 1,3-dimethyl-8-[(naphthalen-1-ylmethyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCc2cccc3c2cccc3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 392.48
Empirical Formula: C21H20N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.175
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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