COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553527
Chemical Name: 9-bromo-4-methoxy-6-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)CC(=O)c1ccc(cc1)OC

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Saltdata: Br-
Molecular Weight: 449.32
Empirical Formula: C21H23BrNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.482
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 4

     

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