COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527908
Chemical Name: 2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(thiophen-2-yl)ethanone
Smiles: COc1c2C(CC(=O)c3cccs3)N(C)CCc2c(c2c1OCO2)Br

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Saltdata: HBr
Molecular Weight: 424.32
Empirical Formula: C18H18BrNO4S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 4.12
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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