COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552882
Chemical Name: 5-(5-bromo-1H-indol-3-yl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(c1c[nH]c3c1cc(Br)cc3)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 430.32
Empirical Formula: C21H22BrN2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.434
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 43
Number of rings: 5

     

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