COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171071
Chemical Name: 1-[(3,4-dimethylphenyl)sulfonyl]-4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazine
Smiles: Cc1cc(ccc1C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCC1)[N+](=O)[O-]

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Molecular Weight: 444.55
Empirical Formula: C22H28N4O4S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 5.583
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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