COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617629
Chemical Name: methyl4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C(=O)OC

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Molecular Weight: 533
Empirical Formula: C28H21ClN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.123
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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