COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552874
Chemical Name: 5-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1c(C)cccc1C)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 408.48
Empirical Formula: C22H26N5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.687
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 71
Number of rings: 5

     

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