COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061421
Chemical Name: (2-chloro-4,5-difluorophenyl){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)c1cc(F)c(cc1Cl)F

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Molecular Weight: 512.94
Empirical Formula: C26H23ClF2N4O3

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 5.897
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 5

     

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