COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058720
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Smiles: [O-]c1cc2nn(c(=O)c2c(n1CCc1ccc(cc1)S(=O)(=O)N)C)c1nc2c(s1)cccc2

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Saltdata: Na+
Molecular Weight: 480.55
Empirical Formula: C22H18N5O4S2

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.084
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 168
Number of rings: 5

     

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