COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051941
Chemical Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: Clc1ccc2c(c1)sc(n2)N1C(c2ccccc2)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 504.95
Empirical Formula: C26H17ClN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.98
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 6

     

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