COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219825
Chemical Name: 4-[(4E)-4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1cc(/C=C\2/C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)C(=O)O)cc(c1O)Br

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Molecular Weight: 485.21
Empirical Formula: C19H12BrF3N2O5

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 5.64
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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