COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK897620
Chemical Name: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfonyl}propanoicacid
Smiles: OC(=O)CCS(=O)(=O)c1nc2c(n1CCc1ccccc1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 420.45
Empirical Formula: C18H20N4O6S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 1.7
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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