COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138917
Chemical Name: 2-(4-nitrophenyl)-5-phenyl-4-[(E)-{[2-(4-propanoylpiperazin-1-yl)ethyl]imino}methyl]-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCC(=O)N1CCN(CC1)CC/N=C/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 476.54
Empirical Formula: C25H28N6O4

Physical State: Dry powder
Available Amount: 385 mg

Lipinsky:
logP: 2.818
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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