COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063554
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 404.39
Empirical Formula: C21H19F3N2O3

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 4.381
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 42
Number of rings: 4

     

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