43815 -OEChem-10051719213D 44 47 0 1 0 0 0 0 0999 V2000 1.6246 4.9026 -0.1871 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -1.8571 -0.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3727 0.3262 -1.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2213 0.3613 0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6671 -3.1817 -0.3814 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.6677 0.3573 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9253 -1.4793 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8087 -0.9861 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 -2.9711 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -2.4899 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4314 -1.3243 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 0.8325 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 1.5936 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 1.4373 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 2.9704 1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1668 2.8141 -1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 -1.3062 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 3.5808 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -0.7777 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 -1.2903 1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 -0.2365 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -0.2163 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 -0.7364 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 0.7018 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -1.0027 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 -1.1515 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 -0.5029 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 -0.5724 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -3.4211 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 -3.5214 -1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -2.6807 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 -2.8977 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 -1.8891 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 -0.2686 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -2.8258 -1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 1.1301 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 0.8875 -1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 3.5675 2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 3.2909 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 -0.7968 -1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 -1.7079 2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 -0.7182 2.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 0.1957 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6078 1.7849 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END > DB00715 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AHOUBRCZNHFOSL-YOEHRIQHSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 > InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 > AHOUBRCZNHFOSL-YOEHRIQHSA-N > C19H20FNO3 > 329.3654 > 329.142721716 > 4 > 44 > 0.9983239256688131 > 34.43750574916554 > 1 > 1 > 0 > 1 > (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine > 3.10 > 3.1482486886666656 > -4.59 > 0 > 1 > 4 > 1 > 9.774978204323723 > 39.72 > 88.02370000000003 > 4 > 1 > 8.53e-03 g/l > tetrahydrofolic acid > 1 $$$$