COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563571
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccncc2)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])CC

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Molecular Weight: 424.46
Empirical Formula: C22H24N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.604
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 123
Number of rings: 3

     

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