COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK621258
Chemical Name: (2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-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/c1cn(c3c1cc(OC)cc3)CC)/C2=O

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Molecular Weight: 461.56
Empirical Formula: C27H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.973
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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