COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581034
Chemical Name: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2

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Molecular Weight: 743.86
Empirical Formula: C41H33N3O7S2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 9.295
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 8

     

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