COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295641
Chemical Name: 2-[4-(acetylamino)phenyl]-6-amino-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonicacid
Smiles: CC(=O)Nc1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3N)S(=O)(=O)O)S(=O)(=O)O

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Molecular Weight: 505.49
Empirical Formula: C20H15N3O9S2

Physical State: Dry powder
Available Amount: 494 mg

Lipinsky:
logP: -2.077
Rotatable bonds: 4
H-donors: 5
H-acceptors: 9
PSA: 218
Number of rings: 4

     

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