COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553530
Chemical Name: 9-bromo-6-[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1ccc(c2)O

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Saltdata: Cl-
Molecular Weight: 475.32
Empirical Formula: C22H21BrNO6

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 1.047
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 74
Number of rings: 5

     

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