COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK818890
Chemical Name: methyl(2Z)-2-[4-(methylsulfanyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Smiles: CSc1ccc(cc1)/C=C/1\Oc2c(C1=O)cc(cc2)C(=O)OC

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Molecular Weight: 326.37
Empirical Formula: C18H14O4S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.243
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 77
Number of rings: 3

     

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