COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558882
Chemical Name: [8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl]acetate
Smiles: [O-]C(=O)Cn1c(NCc2ccccc2)[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 343.34
Empirical Formula: C16H17N5O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.543
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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