COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL104521
Chemical Name: 2-tert-butoxy-2-oxoethyl2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Smiles: COc1ccc(cc1)n1cc(C(=O)OCC(=O)OC(C)(C)C)c2c(c1=O)cccc2

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Molecular Weight: 409.44
Empirical Formula: C23H23NO6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.142
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 82
Number of rings: 3

     

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