COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL422049
Chemical Name: tert-butyl4-{[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl}piperazine-1-carboxylate
Smiles: O=C(N1CCN(CC1)Cc1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)OC(C)(C)C

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Molecular Weight: 455.55
Empirical Formula: C25H33N3O5

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.607
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 82
Number of rings: 4

     

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