COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583133
Chemical Name: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: Oc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 559.62
Empirical Formula: C28H21N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.405
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 175
Number of rings: 6

     

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