COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326949
Chemical Name: (2Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-nitrophenyl)ethanone
Smiles: [O-][N+](=O)c1ccccc1C(=O)/C=C/1\NC(C)(C)Cc2c1cccc2

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Molecular Weight: 322.36
Empirical Formula: C19H18N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.078
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 3

     

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