COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK883699
Chemical Name: 5-(4-butoxy-3-ethoxyphenyl)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 694.23
Empirical Formula: C34H32ClN3O7S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 8.516
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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