COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL402450
Chemical Name: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanone
Smiles: O=C(N1CCc2c(C1)cccc2)Cn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 314.34
Empirical Formula: C16H18N4O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.953
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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