COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK270168
Chemical Name: 2-(3-nitrophenyl)-2-oxoethyl2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Smiles: COCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 426.38
Empirical Formula: C21H18N2O8

Physical State: Dry powder
Available Amount: 720 mg

Lipinsky:
logP: 3.064
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 135
Number of rings: 3

     

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