COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171864
Chemical Name: (4E)-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1cccc(c1)C(F)(F)F

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Molecular Weight: 458.52
Empirical Formula: C26H29F3N2O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.725
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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