COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038695
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])CC

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Molecular Weight: 437.5
Empirical Formula: C24H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.22
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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