5326868 -OEChem-10051721143D 58 62 0 0 0 0 0 0 0999 V2000 3.9264 -4.1857 0.2760 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0916 2.3897 0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 0.0496 -1.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 0.4428 -0.1468 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 -1.4599 0.0997 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -1.8438 0.2376 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1082 2.6509 1.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 0.1563 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 1.5102 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 1.4561 -1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 2.7377 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9296 0.1557 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9596 -0.7236 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 -0.5730 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 1.3667 -1.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6566 -1.7283 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5203 2.6644 -0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1737 -0.3234 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 -0.7614 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 -0.2603 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -1.8004 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 -1.2809 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -1.8991 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0129 -2.7730 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 -2.7896 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 2.6604 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -0.9488 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 -2.5998 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5473 -2.9125 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4447 2.1720 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 3.1440 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3127 2.1889 2.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 3.1176 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3903 -0.5116 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 -0.3254 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 1.1437 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9576 1.7996 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 1.2612 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6209 1.9045 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 3.4916 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 3.1934 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 1.5101 -2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7587 1.2198 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 3.5184 -1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 2.8339 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1678 0.0413 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 0.0230 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 -2.0211 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 0.7711 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5471 -2.1776 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5739 -3.5435 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -3.5946 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 -2.6071 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -3.4238 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 1.7941 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 3.5279 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 1.8196 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 3.4808 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 27 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 48 1 0 0 0 0 6 21 1 0 0 0 0 6 27 1 0 0 0 0 6 53 1 0 0 0 0 7 32 2 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 23 2 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 24 1 0 0 0 0 17 26 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 30 32 1 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END > DB08091 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HIUFYIOMUILESI-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1 > InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32) > HIUFYIOMUILESI-UHFFFAOYSA-N > C26H25FN4O2 > 444.5007 > 444.196154269 > 4 > 58 > 0.04483636547318084 > 48.1278370837604 > 1 > 2 > 0 > 1 > 3-fluoro-5-(morpholin-4-yl)-N-{3-[2-(pyridin-4-yl)ethyl]-1H-indol-5-yl}benzamide > 4.34 > 4.514828223 > -4.94 > 1 > 0 > 5 > 0 > 17.631110551196734 > 14.806490015188377 > 5.671552777900606 > 70.25 > 128.5788 > 6 > 1 > 5.06e-03 g/l > biotin > 0 $$$$