COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552995
Chemical Name: 5-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1ccc3c(c1)OCO3)O)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 400.45
Empirical Formula: C22H26NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.534
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 66
Number of rings: 5

     

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