COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581099
Chemical Name: (4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Brc1cccc(c1)C1N(c2nccs2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 499.34
Empirical Formula: C22H15BrN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.505
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 5

     

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