COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050979
Chemical Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F

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Molecular Weight: 522.94
Empirical Formula: C26H16ClFN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.031
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 6

     

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