COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582409
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-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1

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Molecular Weight: 673.81
Empirical Formula: C35H35N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.351
Rotatable bonds: 11
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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