COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006973
Chemical Name: 8-(azepan-1-yl)-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCSc1ncccn1)c(n2)N1CCCCCC1)C

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Molecular Weight: 401.49
Empirical Formula: C18H23N7O2S

Available Amount: 0 mg

Lipinsky:
logP: 1.816
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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