COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020564
Chemical Name: methyl3-nitro-5-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}benzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 414.37
Empirical Formula: C19H18N4O7

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 2.143
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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