COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008650
Chemical Name: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Oc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 559.62
Empirical Formula: C28H21N3O6S2

Available Amount: 0 mg

Lipinsky:
logP: 5.322
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 175
Number of rings: 6

     

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