COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515867
Chemical Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1OC)OC)OC)/C2=O

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Molecular Weight: 454.52
Empirical Formula: C25H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.823
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 84
Number of rings: 4

     

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