COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149678
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene}[4-(dimethylsulfamoyl)phenyl]methanolate
Smiles: C[NH+](CCCN1C(c2ccco2)/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 461.54
Empirical Formula: C22H27N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.721
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 123
Number of rings: 3

     

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