COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK604150
Chemical Name: (5E)-3-(4-bromophenyl)-6-hydroxy-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(/C=C/2\C(=NC(=O)N(C2=O)c2ccc(cc2)Br)O)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 462.21
Empirical Formula: C18H12BrN3O7

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 3.365
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 145
Number of rings: 3

     

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