COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484429
Chemical Name: (5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cc(ccc2Cl)C(F)(F)F)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 499.79
Empirical Formula: C20H13ClF3N3O7

Physical State: Dry powder
Available Amount: 640 mg

Lipinsky:
logP: 4.353
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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