5326869 -OEChem-10051721263D 58 62 0 0 0 0 0 0 0999 V2000 -3.8455 -4.1916 0.4501 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8977 2.5036 -0.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 0.0552 -1.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 0.4120 -0.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 0.2697 -1.0522 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -1.8157 0.1858 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 2.3299 1.8854 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 1.7775 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1168 0.3121 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9658 2.5479 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3077 1.1603 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -0.6349 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 -0.5946 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 1.4276 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -1.5904 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 2.6912 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 -0.0802 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 -0.6799 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.2274 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 -0.2758 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.7336 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -1.2873 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -1.9175 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 -2.6434 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -2.7013 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 2.5646 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -0.9481 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -2.6028 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -2.9216 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 2.9223 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 2.0920 1.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8624 2.7866 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 1.9938 2.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1905 2.2834 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0337 1.7758 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 -0.7198 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7291 0.6771 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7227 3.5977 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4373 2.1453 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0578 1.1832 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7875 0.7491 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2433 1.6032 -2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 1.1784 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0382 3.5379 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1801 2.9488 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 0.5116 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 0.0755 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9752 -1.7483 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 0.7477 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4917 -2.1843 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -3.4042 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -3.5181 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -2.5834 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -3.4218 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 3.2910 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 1.8123 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 3.0475 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 1.6303 3.1929 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 13 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 17 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 15 2 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 13 23 2 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 16 26 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 2 0 0 0 0 17 46 1 0 0 0 0 18 21 2 0 0 0 0 18 47 1 0 0 0 0 19 48 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 > DB08730 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CPFBZMFUCGHBAP-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1 > InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32) > CPFBZMFUCGHBAP-UHFFFAOYSA-N > C26H25FN4O2 > 444.5007 > 444.196154269 > 4 > 58 > 0.032676556297148183 > 48.053025638809636 > 1 > 1 > 0 > 1 > 3-fluoro-5-(morpholin-4-yl)-N-{1-[2-(pyridin-4-yl)ethyl]-1H-indol-6-yl}benzamide > 3.92 > 4.2152759190000015 > -5.10 > 1 > 0 > 5 > 0 > 14.833822976506132 > 5.528664767525029 > 59.39 > 128.5049 > 6 > 1 > 3.51e-03 g/l > tetrahydrofolic acid > 0 $$$$