COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523811
Chemical Name: 3-(4-{[(6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-4-yl)oxy]acetyl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=O)COc1c2OCOc2cc2c1C(=O)N(CC2)C

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Saltdata: HCl
Molecular Weight: 400.43
Empirical Formula: C20H24N4O5

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: -0.454
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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