COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311982
Chemical Name: 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)CN1CCc2c(C1)cccc2

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Molecular Weight: 489.57
Empirical Formula: C28H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.445
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 74
Number of rings: 6

     

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