COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617949
Chemical Name: (2Z)-2-(3,4-dimethoxybenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)OC)OC)/C2=O

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Molecular Weight: 440.5
Empirical Formula: C24H28N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.233
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 95
Number of rings: 4

     

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