COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058251
Chemical Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone
Smiles: COc1cc2CCN/C(=C\C(=O)c3ccc(c(c3)C)[N+](=O)[O-])/c2cc1OC

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Molecular Weight: 368.39
Empirical Formula: C20H20N2O5

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 3.796
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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