COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL226026
Chemical Name: 2-ethylbutylcyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
Smiles: CCC(COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)C#N)CC

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Molecular Weight: 525.57
Empirical Formula: C28H30F3N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.254
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 4

     

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