COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK176678
Chemical Name: (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(cc(c1O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C)[N+](=O)[O-]

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Molecular Weight: 411.37
Empirical Formula: C20H17N3O7

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.918
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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