COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553055
Chemical Name: 4-methoxy-6-methyl-5-{3-[(3-nitrophenyl)amino]prop-1-yn-1-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(C#CCNc1cccc(c1)[N+](=O)[O-])[NH+](CC2)C

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Saltdata: Cl-
Molecular Weight: 396.42
Empirical Formula: C21H22N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.93
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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