COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294665
Chemical Name: 2-(6-aminohexyl)-6-bromo-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: NCCCCCCn1c(=O)c2cccc3c2c(c1=O)cc(c3Br)[N+](=O)[O-]

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Molecular Weight: 420.26
Empirical Formula: C18H18BrN3O4

Physical State: Dry powder
Available Amount: 331 mg

Lipinsky:
logP: 2.192
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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