COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL393986
Chemical Name: (3E)-4-(3-ethoxy-4-hydroxyphenyl)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]but-3-en-2-one
Smiles: CCOc1cc(ccc1O)/C=C(/n1ccc(n1)C(F)(F)F)\C(=O)C

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Molecular Weight: 340.3
Empirical Formula: C16H15F3N2O3

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 3.221
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 2

     

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