COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082365
Chemical Name: (5E)-1-(3-bromophenyl)-5-(4-methyl-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Brc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 430.21
Empirical Formula: C18H12BrN3O5

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 3.785
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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