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Table 5 In silico ADME of the 2-(aryl or alkyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine derivatives

From: Efficient synthesis of 1,3-naphtoxazine derivatives using reusable magnetic catalyst (GO-Fe3O4–Ti(IV)): anticonvulsant evaluation and computational studies

Entry Absorption Distribution
% HIAa In vitro Caco-2 cell permeability (nm s−1) In vitro Skin permeability((log Kp, cm h − 1) % In vitro plasma protein bonding %BBBb
S1 100 57.30 − 2.68 100 2.27
S2 100 58.05 − 2.7 83.88 2.02
S3 100 58.16 − 3.07 83.09 4.07
S4 100 58.02 − 2.56 86.52 1.67
S5 100 58.15 − 2.74 91.96 2.07
S6 100 57.98 − 2.49 87.68 4.67
S7 100 58.15 − 2.66 92.29 3.22
S8 100 57.49 − 2.75 86.65 1.87
S9 100 56.37 − 3.33 82.78 2.86
S10 100 58.04 − 2.49 94.16 4.41
S11 100 57.65 − 2.96 92.59 0.37
Diazepam 99.49 47.68 − 3.07 98.74 2.58
  1. aHuman Intestinal Absorption; bIn vivo blood–brain barrier penetration