COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552897
Chemical Name: 5-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1cc(ccc1OC)C(CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1)O

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Saltdata: I-
Molecular Weight: 416.49
Empirical Formula: C23H30NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.659
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 66
Number of rings: 4

     

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