COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198668
Chemical Name: 1-benzofuran-2-yl{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Smiles: [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2

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Molecular Weight: 482.54
Empirical Formula: C28H26N4O4

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 4.982
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 85
Number of rings: 6

     

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