COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151113
Chemical Name: (E)-[1-(6-methoxy-1,3-benzothiazol-3-ium-2-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: COc1ccc2c(c1)sc([nH+]2)N1C(c2ccccc2)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O

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Molecular Weight: 448.52
Empirical Formula: C23H16N2O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.36
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 5

     

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