COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295454
Chemical Name: (4E)-2-(4-bromophenyl)-4-{[(3,5-dinitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)N1N=C(/C(=C\Nc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/C1=O)C

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Molecular Weight: 446.22
Empirical Formula: C17H12BrN5O5

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.697
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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