COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043524
Chemical Name: (1E,2E)-1-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: CC[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 449.51
Empirical Formula: C25H27N3O5

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.904
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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