COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054965
Chemical Name: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 647.78
Empirical Formula: C36H29N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.781
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 7

     

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