COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596123
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C

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Molecular Weight: 687.84
Empirical Formula: C36H37N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.995
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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