COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK907880
Chemical Name: 1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 708.26
Empirical Formula: C35H34ClN3O7S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 9.048
Rotatable bonds: 13
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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