COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623955
Chemical Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O

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Molecular Weight: 456.93
Empirical Formula: C24H25ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.104
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 75
Number of rings: 5

     

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