COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK964485
Chemical Name: (2Z)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)prop-2-en-1-one
Smiles: Cn1ncc(c1)/C=C(/C(=O)N1CCc2c(C1)cccc2)\n1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 378.39
Empirical Formula: C19H18N6O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.959
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 101
Number of rings: 4

     

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