COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311126
Chemical Name: methylN-{[2-(2,5-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}-beta-alaninate
Smiles: COC(=O)CCNC(=O)c1cn(c2cc(OC)ccc2OC)c(=O)c2c1cccc2

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Molecular Weight: 410.43
Empirical Formula: C22H22N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.267
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 3

     

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