COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046115
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(dimethylsulfamoyl)phenyl]methanolate
Smiles: COc1cc(ccc1OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)S(=O)(=O)N(C)C)/[O-]

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Molecular Weight: 531.63
Empirical Formula: C26H33N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.296
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 129
Number of rings: 3

     

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