COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172406
Chemical Name: 1-[(3,4-dimethylphenyl)sulfonyl]-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine
Smiles: Cc1cc(n(n1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C)C

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Molecular Weight: 469.56
Empirical Formula: C23H27N5O4S

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 5.446
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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