COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523212
Chemical Name: 9-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-4-methoxy-6-methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
Smiles: OCCN1CCN(CC1)S(=O)(=O)c1c2OCOc2c(c2c1CCN(C2=O)C)OC

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Molecular Weight: 427.48
Empirical Formula: C18H25N3O7S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0.688
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 117
Number of rings: 4

     

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