COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK416720
Chemical Name: 2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]hexan-1-one
Smiles: CCCCC(C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])CC

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Molecular Weight: 333.43
Empirical Formula: C18H27N3O3

Physical State: Dry powder
Available Amount: 462 mg

Lipinsky:
logP: 4.383
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 2

     

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