COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041186
Chemical Name: (4E)-5-[3-(benzyloxy)phenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C\1/C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1nnc(s1)SCc1ccccc1)/O

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Molecular Weight: 647.78
Empirical Formula: C36H29N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.4
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 7

     

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