COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK465523
Chemical Name: 1-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-(2-nitrophenyl)ethanone
Smiles: COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccccc1[N+](=O)[O-]

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Molecular Weight: 449.48
Empirical Formula: C20H23N3O7S

Physical State: Dry powder
Available Amount: 513 mg

Lipinsky:
logP: 3.127
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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