COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511972
Chemical Name: (4Z)-2-(4-bromophenyl)-5-hydroxy-4-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(cc(c1O)/C=C\1/C(=NN(C1=O)c1ccc(cc1)Br)O)[N+](=O)[O-]

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Molecular Weight: 434.2
Empirical Formula: C17H12BrN3O6

Physical State: Dry powder
Available Amount: 268 mg

Lipinsky:
logP: 4.301
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 128
Number of rings: 3

     

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