COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171109
Chemical Name: 2-(5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[N+](=O)[O-]

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Molecular Weight: 538.62
Empirical Formula: C27H30N4O6S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 6.759
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 116
Number of rings: 5

     

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