COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL104543
Chemical Name: 2-tert-butoxy-2-oxoethyl2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Smiles: O=C(OC(C)(C)C)COC(=O)c1cn(c2cccc(c2)F)c(=O)c2c1cccc2

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Molecular Weight: 397.4
Empirical Formula: C22H20FNO5

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 4.278
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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