COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157731
Chemical Name: (4-tert-butylphenyl){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)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 498.63
Empirical Formula: C30H34N4O3

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 6.588
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 5

     

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