COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667122
Chemical Name: 3-[(4Z)-4-[3-bromo-5-methoxy-4-(propan-2-yloxy)benzylidene]-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)c2cccc(c2)C(=O)O)cc(c1OC(C)C)Br

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Molecular Weight: 527.29
Empirical Formula: C22H18BrF3N2O5

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 6.701
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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