COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569045
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: Oc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 514.56
Empirical Formula: C28H22N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.568
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 137
Number of rings: 6

     

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