COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK275576
Chemical Name: 3,3-dimethyl-2-oxobutyl2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Smiles: O=C(C(C)(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 410.38
Empirical Formula: C21H18N2O7

Physical State: Dry powder
Available Amount: 624 mg

Lipinsky:
logP: 3.102
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 126
Number of rings: 3

     

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