COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527918
Chemical Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoicacid
Smiles: CCOc1cc(ccc1OCC)C1c2cc(OCC)c(cc2CC(=O)N1c1ccc(cc1)C(=O)O)OCC

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Molecular Weight: 519.59
Empirical Formula: C30H33NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.689
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 94
Number of rings: 4

     

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