COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK253278
Chemical Name: 2-(3,4-dimethylphenyl)-2-oxoethyl2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])Cc1ccccc1)OCC(=O)c1ccc(c(c1)C)C

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Molecular Weight: 486.48
Empirical Formula: C27H22N2O7

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 6.226
Rotatable bonds: 7
H-donors: 0
H-acceptors: 7
PSA: 126
Number of rings: 4

     

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