COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051614
Chemical Name: methyl4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 649.75
Empirical Formula: C35H27N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.038
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 7

     

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