COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043072
Chemical Name: 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-[(E)-(hydroxyimino)methyl]pyridinium
Smiles: O/N=C/c1cc[n+](cc1)CC(=O)N1CCc2c(C1)cccc2

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Saltdata: Cl-
Molecular Weight: 296.35
Empirical Formula: C17H18N3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -2.201
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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