COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043873
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccccc2)\O)/C(=O)C1=O

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Molecular Weight: 485.52
Empirical Formula: C26H19N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.279
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 144
Number of rings: 5

     

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