COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570207
Chemical Name: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)Cl

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Molecular Weight: 706.28
Empirical Formula: C36H36ClN3O6S2

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 9.818
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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