COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524317
Chemical Name: 2-[(9-bromo-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-4-yl)oxy]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
Smiles: CN1CCN(CC1)CCCNC(=O)COc1c2OCOc2c(c2c1C(=O)N(C)CC2)Br

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Saltdata: 2 HCl
Molecular Weight: 497.39
Empirical Formula: C21H29BrN4O5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 0.652
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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