COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069700
Chemical Name: 2-(4-bromophenoxy)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: Brc1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 454.71
Empirical Formula: C18H17BrClN3O4

Physical State: Dry powder
Available Amount: 502 mg

Lipinsky:
logP: 4.806
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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