COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148887
Chemical Name: 2-{5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Smiles: [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 416.5
Empirical Formula: C20H24N4O4S

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 4.292
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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