COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294749
Chemical Name: 6-bromo-5-nitro-2-(4-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(c2ccc(cc2)[N+](=O)[O-])c(=O)c2c3c1cccc3c(c(c2)[N+](=O)[O-])Br

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Molecular Weight: 442.18
Empirical Formula: C18H8BrN3O6

Physical State: Dry powder
Available Amount: 625 mg

Lipinsky:
logP: 2.969
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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