COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743820
Chemical Name: 1,3-dimethyl-8-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCC(=O)N2CCC(CC2)C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 391.49
Empirical Formula: C18H25N5O3S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 3.313
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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