COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK374050
Chemical Name: N-(2-{4-[(3,5-dinitrophenyl)carbonyl]piperazin-1-yl}ethyl)-3,5-dinitrobenzamide
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NCCN1CCN(CC1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 517.41
Empirical Formula: C20H19N7O10

Physical State: Dry powder
Available Amount: 2152 mg

Lipinsky:
logP: 0.279
Rotatable bonds: 2
H-donors: 1
H-acceptors: 10
PSA: 235
Number of rings: 3

     

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