COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581216
Chemical Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

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Molecular Weight: 560.38
Empirical Formula: C23H18BrN3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.409
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 159
Number of rings: 5

     

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