COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552939
Chemical Name: 4-methoxy-6,6-dimethyl-5-[1-(3-methylphenyl)-1H-tetrazol-5-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1cccc(c1)C)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 394.45
Empirical Formula: C21H24N5O3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.227
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 71
Number of rings: 5

     

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