COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856966
Chemical Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1sccc1C)/C2=O

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Molecular Weight: 412.49
Empirical Formula: C21H16O5S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 4

     

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