COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552810
Chemical Name: 5-[2-(2-hydroxyphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccccc1O)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 370.43
Empirical Formula: C21H24NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.063
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 4

     

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