COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326147
Chemical Name: 2-(3-nitrophenyl)-2-oxoethyl2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)CCS(=O)(=O)C)OCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 474.45
Empirical Formula: C21H18N2O9S

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 2.989
Rotatable bonds: 8
H-donors: 0
H-acceptors: 9
PSA: 169
Number of rings: 3

     

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