COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567090
Chemical Name: (E)-{2-(3,4-dichlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(dimethylsulfamoyl)phenyl]methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 582.5
Empirical Formula: C26H29Cl2N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.231
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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