COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295459
Chemical Name: (4E)-2-(4-bromophenyl)-4-{[(2-hydroxy-4-nitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(cc2O)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 417.22
Empirical Formula: C17H13BrN4O4

Physical State: Dry powder
Available Amount: 349 mg

Lipinsky:
logP: 3.796
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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