COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK877320
Chemical Name: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Smiles: CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 373.33
Empirical Formula: C16H18F3N3O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.591
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 2

     

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