COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552816
Chemical Name: 4-methoxy-6,6-dimethyl-5-[2-oxo-2-(thiophen-2-yl)ethyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cccs1)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 360.45
Empirical Formula: C19H22NO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.775
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 73
Number of rings: 4

     

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