COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042066
Chemical Name: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 613.76
Empirical Formula: C33H31N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.339
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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