COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148933
Chemical Name: 2-(5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[N+](=O)[O-]

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Molecular Weight: 513.02
Empirical Formula: C25H25ClN4O4S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 6.836
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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