COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157781
Chemical Name: 2-(2-nitro-5-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}phenyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 523.57
Empirical Formula: C25H25N5O6S

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 5.993
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 143
Number of rings: 5

     

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