COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484454
Chemical Name: (5Z)-1-(3,4-dimethylphenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)C)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 411.37
Empirical Formula: C20H17N3O7

Physical State: Dry powder
Available Amount: 487 mg

Lipinsky:
logP: 3.503
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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