COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK270256
Chemical Name: 2-(4-nitrophenyl)-2-oxoethyl2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
Smiles: CCCCC(N1C(=O)c2c(C1=O)cc(c(c2)Cl)Cl)C(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 493.3
Empirical Formula: C22H18Cl2N2O7

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 6.171
Rotatable bonds: 7
H-donors: 0
H-acceptors: 7
PSA: 126
Number of rings: 3

     

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