COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172021
Chemical Name: N-(2,2-dimethylpropyl)-2-nitro-5-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}aniline
Smiles: [O-][N+](=O)c1ccc(cc1NCC(C)(C)C)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 477.54
Empirical Formula: C21H27N5O6S

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 5.778
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 152
Number of rings: 3

     

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