COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK247605
Chemical Name: hexyl2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Smiles: CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 396.4
Empirical Formula: C21H20N2O6

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 4.764
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 109
Number of rings: 3

     

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