11962616 -OEChem-10051722403D 63 65 0 1 0 0 0 0 0999 V2000 -6.5949 -1.7941 -0.9190 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3885 -1.5027 1.2201 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 2.4287 1.9964 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8455 0.1783 -0.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5187 -0.9758 -0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 -4.5057 -0.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 2.3918 -0.1157 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1888 -2.5176 -0.3464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 2.0505 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 3.3271 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 2.3619 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 3.0635 -1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5172 1.4639 0.9717 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9389 2.1435 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 1.0951 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 0.7683 0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8854 -0.5778 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 1.3908 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1285 -1.1630 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0002 1.5170 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -0.4162 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 -1.3944 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 0.9262 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 0.3897 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9347 -0.9488 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -2.6811 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 -3.3218 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4286 -0.7757 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2343 -0.8580 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0044 -0.5341 1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6154 -0.6983 -0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3856 -0.3745 1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1911 -0.4567 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.3576 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 1.5440 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2943 4.0199 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 3.8323 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 2.8432 -1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 3.0737 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 2.4501 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 4.0229 -1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 0.7611 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 1.4978 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4673 3.0879 -0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 0.3596 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 0.6169 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 2.9625 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4936 1.8227 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 2.1040 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 2.5697 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6976 -0.9753 0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1384 1.5263 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 2.8714 2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6022 0.8293 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4579 1.0845 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1032 -2.9184 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -3.2926 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2105 -0.3033 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7986 -1.0430 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3883 -0.4648 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2427 -0.7614 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8340 -0.1855 2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2665 -0.3320 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 53 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 58 1 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 47 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 20 23 2 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 22 26 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > DB12100 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SFYAXIFVXBKRPK-QFIPXVFZSA-N/SDF?record_type=3d > O[C@@H](CNCCCCCCOCC(F)(F)C1=CC=CC=C1)C1=C2C=CC(=O)NC2=C(O)C=C1 > InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1 > SFYAXIFVXBKRPK-QFIPXVFZSA-N > C25H30F2N2O4 > 460.522 > 460.21736378 > 5 > 63 > 48.293255491305054 > 1 > 4 > 0 > 1 > 5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one > 3.14 > 3.0687925976967634 > -5.00 > 1 > 3 > 1 > 14.058097465945792 > 8.512811342990428 > 9.739158614387442 > 90.82000000000001 > 125.5067 > 13 > 1 > 4.58e-03 g/l > abediterol > 0 $$$$