COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590510
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F

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Molecular Weight: 579.6
Empirical Formula: C28H19F2N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.244
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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