COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564108
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 441.48
Empirical Formula: C23H27N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 123
Number of rings: 3

     

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