COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK170731
Chemical Name: (5E)-1-(4-bromophenyl)-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(cc1)Br)[N+](=O)[O-]

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Molecular Weight: 462.21
Empirical Formula: C18H12BrN3O7

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 3.77
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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