COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374944
Chemical Name: (5E)-5-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]-1-(4-tert-butylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)C(C)(C)C)c(cc1OCc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 529.55
Empirical Formula: C29H27N3O7

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 5.844
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 130
Number of rings: 4

     

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