COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577136
Chemical Name: (4E)-5-[3-(benzyloxy)phenyl]-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: O/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1nnc(s1)SCc1cccc2c1cccc2)/c1ccc2c(c1)OCCO2

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Molecular Weight: 699.81
Empirical Formula: C39H29N3O6S2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 8.942
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 8

     

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