COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK274687
Chemical Name: 2-(3,4-dimethylphenyl)-2-oxoethyl2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C)OCC(=O)c1ccc(c(c1)C)C

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Molecular Weight: 410.38
Empirical Formula: C21H18N2O7

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 4.407
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 126
Number of rings: 3

     

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