COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK854096
Chemical Name: (2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+](C)C)[O-]

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Molecular Weight: 399.44
Empirical Formula: C22H25NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.809
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 3

     

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