COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600128
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-propoxyphenyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 663.75
Empirical Formula: C33H30FN3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.524
Rotatable bonds: 11
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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