COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561156
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(dimethylsulfamoyl)phenyl]methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)C)/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 471.58
Empirical Formula: C24H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.895
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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