COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006939
Chemical Name: 8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)CCSc1ncccn1)N1CCC(CC1)Cc1ccccc1

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Molecular Weight: 491.62
Empirical Formula: C25H29N7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.953
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 5

     

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