COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581703
Chemical Name: (4E)-5-[3-(benzyloxy)phenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1)c1cccc(c1)OCc1ccccc1

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Molecular Weight: 649.75
Empirical Formula: C35H27N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.712
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 7

     

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