COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041781
Chemical Name: methyl4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C(=O)OC

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Molecular Weight: 558.57
Empirical Formula: C29H22N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.278
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 152
Number of rings: 6

     

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