COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432559
Chemical Name: 4-[(4Z)-4-(3,4-diethoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)O

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Molecular Weight: 448.4
Empirical Formula: C22H19F3N2O5

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 6.132
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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