40466858 -OEChem-10051722103D 50 52 0 0 0 0 0 0 0999 V2000 6.7330 -0.3558 -0.5662 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9496 1.3574 -1.8552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -0.6497 -0.5814 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7902 -0.8183 0.0768 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 -2.0743 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2077 -0.0496 -1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 -2.0606 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2252 -1.1764 -1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7377 -0.5227 -1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4997 -1.0859 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -0.4385 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 1.0054 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 -1.2308 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 1.9518 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 1.4194 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -2.3191 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 3.3120 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5994 2.7797 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 3.7261 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 -3.0295 1.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -1.5332 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -2.6355 1.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 5.1803 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 -1.0824 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 -0.0391 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 0.3693 -1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 -0.1308 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -2.3146 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -2.7375 -1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0149 0.3174 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4909 0.7802 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0224 -1.6125 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1926 -3.0636 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1982 -1.7324 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2451 -0.8082 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -1.0461 -2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6287 0.5413 -1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -2.1474 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3896 1.6447 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 0.6937 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -2.6206 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 4.0398 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1601 3.0898 2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 -3.8876 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 -3.1882 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 5.5637 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 5.3628 2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 5.7515 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9848 -1.6574 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 0.5418 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 21 2 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 15 18 2 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB09488 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PWACSDKDOHSSQD-IUTFFREVSA-N/SDF?record_type=3d > [H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O > InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+ > PWACSDKDOHSSQD-IUTFFREVSA-N > C22H24N2O2 > 348.4382 > 348.183778022 > 4 > 50 > 39.09482423992762 > 1 > 1 > 0 > 1 > (2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid > 4.29 > 1.710666395404386 > -4.54 > 1 > 3 > 0 > 3.68137138223122 > 8.629973178875698 > 53.43000000000001 > 115.08009999999997 > 6 > 1 > 9.94e-03 g/l > acrivastine > 0 $$$$