COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK269502
Chemical Name: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl3-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Smiles: O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl

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Molecular Weight: 534.14
Empirical Formula: C20H12Cl4N2O7

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 5.545
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 126
Number of rings: 3

     

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