COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445269
Chemical Name: (2E)-3-(4-bromophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
Smiles: Brc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 416.27
Empirical Formula: C19H18BrN3O3

Physical State: Dry powder
Available Amount: 766 mg

Lipinsky:
logP: 4.279
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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