COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL423725
Chemical Name: 6-(azepan-1-ylmethyl)-2-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4H-pyran-4-one
Smiles: O=c1cc(CN2CCCCCC2)oc(c1O)CN1CCc2c(C1)cccc2

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Molecular Weight: 368.48
Empirical Formula: C22H28N2O3

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 4.473
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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