COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552061
Chemical Name: 2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-(cyanomethyl)acetamide
Smiles: N#CCNC(=O)CC1N(C)CCc2c1c(OC)c1c(c2Br)OCO1

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Molecular Weight: 396.24
Empirical Formula: C16H18BrN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.349
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 3

     

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