COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581805
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-ethoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 645.76
Empirical Formula: C33H31N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.472
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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