COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172019
Chemical Name: 1-[(2-nitrophenyl)sulfonyl]-4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazine
Smiles: [O-][N+](=O)c1ccc(cc1N1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 461.5
Empirical Formula: C20H23N5O6S

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 4.677
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 143
Number of rings: 4

     

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