COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK943522
Chemical Name: 4-[(3,4-dimethoxyphenyl)acetyl]-3-hydroxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]phenolate
Smiles: COc1cc(ccc1OC)CC(=O)c1ccc(c(c1O)C[NH+]1CCN(CC1)C)[O-]

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Molecular Weight: 400.47
Empirical Formula: C22H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.694
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 86
Number of rings: 3

     

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