COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590566
Chemical Name: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1Cl)c1ccccc1F

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Molecular Weight: 596.06
Empirical Formula: C28H19ClFN3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.788
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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