COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856555
Chemical Name: (2Z)-7-[(dimethylammonio)methyl]-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+](C)C)[O-])cc(c1OC)OC

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Molecular Weight: 385.42
Empirical Formula: C21H23NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.319
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 3

     

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