COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355554
Chemical Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)ethanone
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])COc1c(Cl)c(C)c(c(c1Cl)C)Cl

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Molecular Weight: 472.75
Empirical Formula: C20H20Cl3N3O4

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 5.459
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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