COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551649
Chemical Name: 2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-(pyridin-3-ylmethyl)acetamide
Smiles: COc1c2C(CC(=O)NCc3cccnc3)N(C)CCc2c(c2c1OCO2)Br

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Saltdata: H2SO4
Molecular Weight: 448.32
Empirical Formula: C20H22BrN3O4

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.173
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 4

     

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