COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758235
Chemical Name: methyl2-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
Smiles: COC(=O)c1cc(cc(c1N1CCN(CC1)c1ccccc1OC)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 416.39
Empirical Formula: C19H20N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.439
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 133
Number of rings: 3

     

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