COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042037
Chemical Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCOC

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Molecular Weight: 525.6
Empirical Formula: C29H35NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.901
Rotatable bonds: 13
H-donors: 1
H-acceptors: 8
PSA: 103
Number of rings: 4

     

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