COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK848407
Chemical Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.794
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 75
Number of rings: 5

     

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