COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL576091
Chemical Name: methyl4-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c1n(C)c(=O)n(c2=O)C

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Molecular Weight: 371.35
Empirical Formula: C17H17N5O5

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 1.582
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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