COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037601
Chemical Name: (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)ccc(c2)S(=O)(=O)C

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Molecular Weight: 510.62
Empirical Formula: C24H18N2O5S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.186
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 173
Number of rings: 5

     

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