COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK174907
Chemical Name: 5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(2-phenylethyl)aniline
Smiles: COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 526.61
Empirical Formula: C26H30N4O6S

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 6.879
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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