23633418 -OEChem-04192313153D 68 71 0 0 0 0 0 0 0999 V2000 -9.0142 -1.6306 0.8558 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7176 -2.4849 0.3895 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 2.9284 -0.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 3.5571 -0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 1.4803 -0.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 3.0245 0.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1577 -3.6018 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 -4.4391 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3137 -2.4276 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5887 -3.6128 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5629 -1.6485 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -4.3704 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -3.5536 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9282 0.2658 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 -0.5428 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -2.0923 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7659 -2.8873 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2924 -0.2431 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -0.5455 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -1.3153 -1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 1.5548 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -1.3208 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 -2.0905 -1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5871 2.3148 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7396 -0.0805 1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0373 -0.8500 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 3.0845 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 3.2246 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 3.0663 1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 3.3997 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 3.2586 -1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 3.4168 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0101 -0.5541 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3078 -1.3237 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -1.1758 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 3.2032 2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 2.5925 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 2.4191 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 -4.8397 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2768 -5.2851 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 -2.7392 1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -1.7405 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.2707 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4945 -4.2185 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 -0.8080 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4753 -1.2424 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -5.2357 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 -4.7610 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.0524 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 -1.3237 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7284 2.1476 -0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 -1.3113 1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -2.6870 -2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 3.0889 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 1.6247 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1366 0.4027 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6672 -0.9691 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 2.9274 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 3.3119 -2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 3.5677 -2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3893 -0.4390 2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9186 -1.8075 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 3.0712 3.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 4.1460 2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 2.3755 2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 2.9519 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 1.6182 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1594 1.3439 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 30 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 68 1 0 0 0 0 6 38 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 17 3 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 20 23 2 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 33 1 0 0 0 0 25 56 1 0 0 0 0 26 34 2 0 0 0 0 26 57 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 36 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 M END > DB17662 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UAQOKKXVCNQHIP-IPPBACCNSA-N/SDF?record_type=3d > CC1=CC(OC\C=C(\C2=CC=C(F)C=C2)C2=CC=C(C=C2)C#CCN2CCOCC2)=CC=C1OCC(O)=O > InChI=1S/C31H30FNO5/c1-23-21-28(12-13-30(23)38-22-31(34)35)37-18-14-29(26-8-10-27(32)11-9-26)25-6-4-24(5-7-25)3-2-15-33-16-19-36-20-17-33/h4-14,21H,15-20,22H2,1H3,(H,34,35)/b29-14+ > UAQOKKXVCNQHIP-IPPBACCNSA-N > C31H30FNO5 > 515.581 > 515.210801233 > 6 > 68 > 0.9997746240952547 > 55.936582613405456 > 0 > 1 > 0 > 0 > 2-(4-{[(2E)-3-(4-fluorophenyl)-3-{4-[3-(morpholin-4-yl)prop-1-yn-1-yl]phenyl}prop-2-en-1-yl]oxy}-2-methylphenoxy)acetic acid > 3.5833014593744696 > 1 > -1 > 4 > -1 > 68.23 > 152.05960000000002 > 11 > 0 > 4-{[(2E)-3-(4-fluorophenyl)-3-{4-[3-(morpholin-4-yl)prop-1-yn-1-yl]phenyl}prop-2-en-1-yl]oxy}-2-methylphenoxyacetic acid > 0 $$$$