COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039384
Chemical Name: (E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(4-bromophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2

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Molecular Weight: 505.39
Empirical Formula: C25H17BrN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.861
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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