COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044484
Chemical Name: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(dimethylsulfamoyl)phenyl]methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/[O-])/C(N1Cc1ccc[nH+]c1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 533.65
Empirical Formula: C29H31N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.217
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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