COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010495
Chemical Name: 1-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
Smiles: CCCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)COc1c(C)cc(cc1C)C

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Molecular Weight: 414.47
Empirical Formula: C21H29F3N2O3

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 5.198
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 2

     

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