COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK848976
Chemical Name: (2Z)-2-(5-bromo-2-methoxybenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCN(CC1)C)[O-])Br

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Molecular Weight: 459.34
Empirical Formula: C22H23BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.771
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 66
Number of rings: 4

     

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