COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL120970
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
Smiles: O=C(NC(C(C)C)C(C)C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 289.37
Empirical Formula: C17H23NO3

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 4.208
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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