COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL317281
Chemical Name: 4-{[5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-4-oxo-4H-pyran-3-yl]methyl}-N,N-dimethylpiperazine-1-sulfonamide
Smiles: Oc1occ(c(=O)c1CN1CCN(CC1)S(=O)(=O)N(C)C)CN1CCc2c(C1)cccc2

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Molecular Weight: 462.57
Empirical Formula: C22H30N4O5S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 1.112
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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