COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567430
Chemical Name: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 678.23
Empirical Formula: C34H32ClN3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.755
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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