COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK867885
Chemical Name: 3-methyl-8-[(3-phenylpropyl)sulfanyl]-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(C(C)C)c(n2)SCCCc1ccccc1)C

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Molecular Weight: 358.46
Empirical Formula: C18H22N4O2S

Physical State: Dry powder
Available Amount: 226 mg

Lipinsky:
logP: 4.132
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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