COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905031
Chemical Name: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3,4-diethoxyphenyl)-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O

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Molecular Weight: 664.2
Empirical Formula: C33H30ClN3O6S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 7.952
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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