COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051643
Chemical Name: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C

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Molecular Weight: 705.86
Empirical Formula: C39H35N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.213
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 7

     

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