COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552581
Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetamide
Smiles: COc1c2C(CC(=O)NCc3ccc4c(c3)OCO4)N(C)CCc2c(c2c1OCO2)Br

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Molecular Weight: 491.34
Empirical Formula: C22H23BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.527
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 78
Number of rings: 5

     

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