COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050127
Chemical Name: methyl4-{(3E)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 617.68
Empirical Formula: C31H24FN3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.859
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 6

     

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