4887 -OEChem-10051719353D 59 63 0 0 0 0 0 0 0999 V2000 3.1213 -3.0231 -0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 1.0659 -0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7040 2.2080 0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 -3.9098 0.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -1.5639 0.0192 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 4.6245 -0.3466 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 2.7658 -0.3999 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 4.8715 -0.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 3.7995 -0.5668 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -0.6455 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -1.9528 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -0.8255 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 -1.7742 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 0.4506 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7943 0.1188 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.7246 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1485 1.3574 1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -1.2155 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1412 0.4392 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -2.9794 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -2.8918 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3328 -2.2252 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0911 -0.5684 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7349 1.9052 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8891 2.5382 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5405 1.8531 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -4.0037 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -1.9113 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4804 -2.8456 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -3.9599 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -1.8675 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6816 -1.9020 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 2.4071 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 2.8120 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4533 2.8318 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 3.2918 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 0.1279 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 -0.2920 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7365 -2.7270 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 -2.3328 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3268 -1.1627 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9399 -1.6189 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -1.0041 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8514 -1.4514 -1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 0.0267 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 1.1561 2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 -0.7629 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1088 -3.2812 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1452 -0.3358 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3522 2.1188 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8478 3.2446 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -4.8376 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -1.1129 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -4.7655 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 -1.0395 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -2.6898 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2587 3.7315 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7294 3.8801 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 5.8148 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 33 1 0 0 0 0 3 26 2 0 0 0 0 4 29 2 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 5 47 1 0 0 0 0 6 8 1 0 0 0 0 6 36 2 0 0 0 0 7 9 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 59 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 24 1 0 0 0 0 16 45 1 0 0 0 0 17 25 2 0 0 0 0 17 46 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 48 1 0 0 0 0 23 32 2 0 0 0 0 23 49 1 0 0 0 0 24 34 2 0 0 0 0 24 50 1 0 0 0 0 25 34 1 0 0 0 0 25 51 1 0 0 0 0 26 35 1 0 0 0 0 27 30 1 0 0 0 0 27 52 1 0 0 0 0 28 31 2 0 0 0 0 28 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 M END > DB01411 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NBQKINXMPLXUET-UHFFFAOYSA-N/SDF?record_type=3d > O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 > InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32) > NBQKINXMPLXUET-UHFFFAOYSA-N > C27H23N5O4 > 481.512 > 481.175004241 > 7 > 59 > 51.41060755431283 > 1 > 2 > 0 > 0 > N-[4-oxo-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide > 4.82 > 4.671582699000001 > -5.18 > 1 > 5 > -1 > 12.326566240536614 > 6.860820365838719 > -1.7216053092129253 > 119.08999999999999 > 139.1495 > 9 > 1 > 3.20e-03 g/l > pranlukast > 0 $$$$