COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800523
Chemical Name: 4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCOc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)O

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Molecular Weight: 646.19
Empirical Formula: C33H28ClN3O5S2

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 8.611
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 159
Number of rings: 6

     

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