COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581124
Chemical Name: methyl4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)C

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Molecular Weight: 491.52
Empirical Formula: C25H21N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.998
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 147
Number of rings: 5

     

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