COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322595
Chemical Name: 3-(8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate
Smiles: [O-]C(=O)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

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Saltdata: (C2H5)2(C2H4OH)NH+
Molecular Weight: 316.09
Empirical Formula: C9H8BrN4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.577
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 2

     

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