COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050000
Chemical Name: 2-{5-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Smiles: [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2

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Molecular Weight: 528.63
Empirical Formula: C29H28N4O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.21
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 6

     

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