COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112522
Chemical Name: (2Z,6Z)-2-(3,4-dimethoxybenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone
Smiles: COc1cc(ccc1OC)/C=C\1/CCC/C(=C(\C(F)(F)F)/O)/C1=O

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Molecular Weight: 342.31
Empirical Formula: C17H17F3O4

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 5.889
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 55
Number of rings: 2

     

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