COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957641
Chemical Name: 4-[(E)-{[2-(4-acetylpiperazin-1-yl)ethyl]imino}methyl]-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCCc1[nH]n(c(=O)c1/C=N/CCN1CCN(CC1)C(=O)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 428.49
Empirical Formula: C21H28N6O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.489
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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