COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396084
Chemical Name: (2E)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: O=C(N1CCc2c(C1)cccc2)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 308.34
Empirical Formula: C18H16N2O3

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 3.525
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 66
Number of rings: 3

     

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