COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK374075
Chemical Name: N-(2-{4-[(2,4-dinitrophenyl)carbonyl]piperazin-1-yl}ethyl)-2,4-dinitrobenzamide
Smiles: [O-][N+](=O)c1cc(ccc1C(=O)NCCN1CCN(CC1)C(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 517.41
Empirical Formula: C20H19N7O10

Physical State: Dry powder
Available Amount: 584 mg

Lipinsky:
logP: 0.534
Rotatable bonds: 4
H-donors: 1
H-acceptors: 10
PSA: 235
Number of rings: 3

     

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