COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294746
Chemical Name: 2-ethyl-6-(ethylamino)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: CCNc1c(cc2c3c1cccc3c(=O)n(c2=O)CC)[N+](=O)[O-]

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Molecular Weight: 313.31
Empirical Formula: C16H15N3O4

Physical State: Dry powder
Available Amount: 660 mg

Lipinsky:
logP: 2.209
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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