COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL002478
Chemical Name: 2-{[(4-acetylphenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
Smiles: CC(=O)c1ccc(cc1)NCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 339.31
Empirical Formula: C17H13N3O5

Physical State: Dry powder
Available Amount: 2469 mg

Lipinsky:
logP: 2.244
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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