COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597207
Chemical Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-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\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 424.45
Empirical Formula: C23H24N2O6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 1.527
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 95
Number of rings: 5

     

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