COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553328
Chemical Name: 5-[2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(CCc1ccc(c(c1)OC)O)O)[N+](CC2)(C)C

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Saltdata: Br-
Molecular Weight: 430.52
Empirical Formula: C24H32NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -2.088
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 77
Number of rings: 4

     

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