COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436548
Chemical Name: (2E)-2-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: COc1cc(OC)c(cc1/C=C(\c1ccc2c(c1)OCO2)/C#N)[N+](=O)[O-]

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Molecular Weight: 354.32
Empirical Formula: C18H14N2O6

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 4.37
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 106
Number of rings: 3

     

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