COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK275580
Chemical Name: 3,3-dimethyl-2-oxobutyl2-(2-methoxy-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Smiles: COc1cc(ccc1N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)C(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 440.41
Empirical Formula: C22H20N2O8

Physical State: Dry powder
Available Amount: 699 mg

Lipinsky:
logP: 3.321
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 135
Number of rings: 3

     

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