COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL036666
Chemical Name: (9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetate
Smiles: COc1c2C(CC(=O)[O-])N(C)CCc2c(c2c1OCO2)Br

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Saltdata: K+
Molecular Weight: 357.18
Empirical Formula: C14H15BrNO5

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.638
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 71
Number of rings: 3

     

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