COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856366
Chemical Name: (2Z)-2-(2,4-dimethoxybenzylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](C)C)[O-]

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Molecular Weight: 355.39
Empirical Formula: C20H21NO5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.561
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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