COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK626505
Chemical Name: (2Z)-2-(biphenyl-4-ylmethylidene)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)c1ccccc1)/C2=O)C

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Molecular Weight: 413.52
Empirical Formula: C27H27NO3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 6.081
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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