COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516920
Chemical Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(pyridin-3-yl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cccnc3)/NCCc2cc1OC

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Molecular Weight: 310.35
Empirical Formula: C18H18N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.043
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 60
Number of rings: 3

     

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