COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757897
Chemical Name: methyl4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate
Smiles: COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1OC

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Molecular Weight: 416.39
Empirical Formula: C19H20N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.919
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 133
Number of rings: 3

     

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