COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148375
Chemical Name: (E)-[1-(6-bromo-1,3-benzothiazol-3-ium-2-yl)-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene](phenyl)methanolate
Smiles: Brc1ccc2c(c1)sc([nH+]2)N1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccccc1F

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Molecular Weight: 509.36
Empirical Formula: C24H14BrFN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.452
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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