COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523510
Chemical Name: N-[(4-hydroxy-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]-3-(phenylsulfonyl)propanamide
Smiles: O=C(CCS(=O)(=O)c1ccccc1)NCc1c2OCOc2c(c2c1CCN(C2=O)C)O

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Molecular Weight: 446.48
Empirical Formula: C21H22N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.317
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 4

     

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