COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK156023
Chemical Name: 2-(3-acetylphenyl)-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2cccc(c2)C(=O)C)C(=O)c2c1cc(cc2)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 414.37
Empirical Formula: C23H14N2O6

Physical State: Dry powder
Available Amount: 347 mg

Lipinsky:
logP: 2.638
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 4

     

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