COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL521954
Chemical Name: 5-(azepan-1-ylmethyl)-3-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCc2c(C1)cccc2)CN1CCCCCC1

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Molecular Weight: 368.48
Empirical Formula: C22H28N2O3

Physical State: Dry powder
Available Amount: 301 mg

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

     

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