COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902272
Chemical Name: (2E)-1-(1,3-benzodioxol-5-yl)-3-[(3,5-difluorophenyl)amino]prop-2-en-1-one
Smiles: Fc1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(c1)F

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Molecular Weight: 303.27
Empirical Formula: C16H11F2NO3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.336
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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