COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158126
Chemical Name: (5E)-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: C=CCN1C(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(F)(F)F)/C(=C(C1=O)C#N)C

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Molecular Weight: 412.37
Empirical Formula: C22H15F3N2O3

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 5.621
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 74
Number of rings: 3

     

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