COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029462
Chemical Name: (3E)-1,1,1-trifluoro-4-[(2-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}phenyl)amino]pent-3-en-2-one
Smiles: CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccccc1N/C(=C/C(=O)C(F)(F)F)/C

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Molecular Weight: 423.31
Empirical Formula: C17H15F6N3O3

Physical State: Liquid
Available Amount: 100 mg

Lipinsky:
logP: 3.865
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 82
Number of rings: 2

     

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