COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314403
Chemical Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)Cc1ccccc1)CN1CCc2c(C1)cccc2

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Molecular Weight: 445.56
Empirical Formula: C27H31N3O3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.583
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 56
Number of rings: 5

     

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