COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320738
Chemical Name: 7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylbenzoate
Smiles: OC(c1ccc(cc1)[N+](=O)[O-])Cn1c(OC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 451.4
Empirical Formula: C21H17N5O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.359
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 159
Number of rings: 4

     

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