COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050969
Chemical Name: (4E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 655.8
Empirical Formula: C35H33N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.363
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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