COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431953
Chemical Name: ethyl4-[(4Z)-4-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2cc(Cl)c(c(c2)OCC)O)/C1=O)C(F)(F)F

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Molecular Weight: 482.84
Empirical Formula: C22H18ClF3N2O5

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 6.633
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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