COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580013
Chemical Name: (4E)-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)CSc1nnc(s1)N1C(c2cccc(c2)OCc2ccccc2)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 663.77
Empirical Formula: C36H29N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.172
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 7

     

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