COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526703
Chemical Name: 2-(4-nitrophenyl)-2-oxoethyl(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Smiles: CC(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 412.36
Empirical Formula: C20H16N2O8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.268
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 136
Number of rings: 3

     

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