COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043665
Chemical Name: methyl4-[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)c1nc2c(s1)cc(cc2)OC)/O

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Molecular Weight: 544.58
Empirical Formula: C29H24N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.999
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 143
Number of rings: 5

     

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