COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL519719
Chemical Name: 2-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}-1-(morpholin-4-yl)ethanone
Smiles: COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)CC(=O)N1CCOCC1

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Saltdata: 2HCl
Molecular Weight: 496.58
Empirical Formula: C22H32N4O7S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.013
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 109
Number of rings: 5

     

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