COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542807
Chemical Name: methylN-{[2-(1,3-benzodioxol-5-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)c1cn(c2ccc3c(c2)OCO3)c(=O)c2c1cccc2

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Molecular Weight: 454.5
Empirical Formula: C23H22N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.532
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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