COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033690
Chemical Name: (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl4-methylbenzenesulfonate
Smiles: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OS(=O)(=O)c2ccc(cc2)C)cc(c1OC)OC

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Molecular Weight: 482.51
Empirical Formula: C25H22O8S

Physical State: Dry powder
Available Amount: 381 mg

Lipinsky:
logP: 4.418
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 105
Number of rings: 4

     

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