25138295 -OEChem-10051720543D 47 49 0 0 0 0 0 0 0999 V2000 -6.1224 -0.3872 1.9109 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 -1.7800 1.3383 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0462 0.0581 2.3798 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1103 -2.1631 -1.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 2.8570 1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 2.5205 -0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 -1.1442 0.0156 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 -0.2135 -0.2344 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -0.3843 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 0.6219 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 -1.5140 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.0987 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.1632 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4666 0.2982 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.2633 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 -1.2446 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3421 0.9689 -1.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8048 0.8993 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8556 -0.4486 1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4491 1.6048 -2.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6804 1.5699 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1092 -0.2823 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 0.8385 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 -1.4941 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 0.7473 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 -1.5853 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 -0.4647 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2271 2.1201 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 -0.8664 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 1.3644 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 1.1717 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -1.1237 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 -2.2764 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 -0.5969 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8699 0.6240 1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 -2.9211 -0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 -2.6693 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 1.0113 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7732 0.8848 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3524 2.1272 -3.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 0.6880 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5421 2.0651 -2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -2.4085 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 1.6044 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6327 -2.5300 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -0.5357 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 3.7174 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 16 2 0 0 0 0 5 28 1 0 0 0 0 5 47 1 0 0 0 0 6 28 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END > DB06985 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MEAQCLPMSVEOQF-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(NC(=O)N2CCC(CC2)C2=C(C=CC=C2)C(F)(F)F)C=CC=C1 > InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27) > MEAQCLPMSVEOQF-UHFFFAOYSA-N > C20H19F3N2O3 > 392.3717 > 392.134777099 > 3 > 47 > -0.9996613864556834 > 36.98903118533196 > 1 > 2 > 0 > 1 > 2-({4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl}amino)benzoic acid > 3.68 > 4.781383371333334 > -4.59 > 0 > -1 > 3 > -1 > 13.24161557183957 > 3.5305868383964665 > -3.0040798586287414 > 69.64 > 99.40660000000003 > 4 > 1 > 1.01e-02 g/l > biotin > 0 $$$$