COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320110
Chemical Name: 5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-2-hydroxy-4H-pyran-4-one
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)C1CCS(=O)(=O)C1)CN1CCc2c(C1)cccc2

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Molecular Weight: 473.59
Empirical Formula: C24H31N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.94
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 98
Number of rings: 5

     

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