COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741755
Chemical Name: 4-{(E)-[(3-methoxypropyl)imino]methyl}-2-(4-nitrophenyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: COCCC/N=C/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 380.4
Empirical Formula: C20H20N4O4

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 2.804
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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