COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553349
Chemical Name: 5-[3-(4-fluorophenoxy)prop-1-yn-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1)F)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 384.43
Empirical Formula: C22H23FNO4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 1
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 36
Number of rings: 4

     

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