COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033816
Chemical Name: N-({(2Z)-6-hydroxy-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-yl}methyl)-N-methylbutan-1-aminium
Smiles: CCCC[NH+](Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/C2=O)C

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Saltdata: Cl-
Molecular Weight: 396.46
Empirical Formula: C23H26NO5

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 77
Number of rings: 3

     

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