COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK933541
Chemical Name: 4-[(3,4-dimethoxyphenyl)acetyl]-2-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-hydroxyphenolate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc(c1O)C(=O)Cc1ccc(c(c1)OC)OC

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Molecular Weight: 414.5
Empirical Formula: C23H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.226
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 86
Number of rings: 3

     

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