COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587353
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 480.46
Empirical Formula: C22H16N4O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.063
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 5

     

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