COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295323
Chemical Name: diethyl5-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(C)c(sc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

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Molecular Weight: 527.47
Empirical Formula: C23H17N3O10S

Physical State: Dry powder
Available Amount: 720 mg

Lipinsky:
logP: 3.718
Rotatable bonds: 6
H-donors: 0
H-acceptors: 10
PSA: 209
Number of rings: 4

     

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