COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000181
Chemical Name: 1,3-dimethyl-8-[(naphthalen-2-ylmethyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)CCCc1ccccc1)SCc1ccc2c(c1)cccc2

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Molecular Weight: 470.6
Empirical Formula: C27H26N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.971
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 5

     

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