COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172401
Chemical Name: {4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-ethylphenyl)methanone
Smiles: CCc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[N+](=O)[O-]

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Molecular Weight: 470.57
Empirical Formula: C28H30N4O3

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 5.891
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 5

     

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