COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553321
Chemical Name: 4-methoxy-6,6-dimethyl-5-[2-oxo-4-(1H-pyrazol-1-yl)butyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)CCn1cccn1)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 372.44
Empirical Formula: C20H26N3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.869
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 62
Number of rings: 4

     

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