COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590490
Chemical Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 709.84
Empirical Formula: C38H35N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.234
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 7

     

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