COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK170621
Chemical Name: (5E)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Br)c(c(c2)[N+](=O)[O-])O)/C1=O

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Molecular Weight: 466.63
Empirical Formula: C17H9BrClN3O6

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 3.962
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 132
Number of rings: 3

     

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