COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK908716
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 695.82
Empirical Formula: C37H33N3O7S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 8.621
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 7

     

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