COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115567
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 342.31
Empirical Formula: C17H14N2O6

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 4.359
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 3

     

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