COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148923
Chemical Name: {4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3-fluorophenyl)methanone
Smiles: Fc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[N+](=O)[O-]

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Molecular Weight: 423.45
Empirical Formula: C22H22FN5O3

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 3.7
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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