COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK955533
Chemical Name: ethyl8-[(1E)-3-(2-chloro-5-nitrophenyl)-3-oxoprop-1-en-1-yl]-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
Smiles: CCOC(=O)C1CC2N(C1C=CC2=O)/C=C/C(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 404.81
Empirical Formula: C19H17ClN2O6

Available Amount: 0 mg

Lipinsky:
logP: 2.592
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 109
Number of rings: 3

     

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