11518241 -OEChem-10051722533D 67 70 0 0 0 0 0 0 0999 V2000 -0.7711 -3.2388 0.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 -4.8618 0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3717 3.2205 -0.6616 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6531 1.6247 0.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 1.6061 0.8311 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8764 0.9423 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7099 3.0595 0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8269 2.0561 1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2089 3.2975 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 1.0359 -1.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 0.9432 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 0.6350 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -0.0253 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6769 0.5684 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1395 2.4439 -2.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 1.0781 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2779 0.0232 -2.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -0.4000 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 -0.1032 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -1.0969 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -2.4914 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -0.3588 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7299 -1.0129 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -3.1453 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -2.4061 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9557 -0.2469 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0484 -4.0878 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1418 -0.7844 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 1.0294 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -4.2583 -0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -0.0456 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1326 1.7681 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 1.2306 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5504 2.0010 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3345 0.3890 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8332 0.2088 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 3.6177 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3888 3.3972 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8545 1.8861 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8351 2.1449 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5255 4.2071 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5064 3.4206 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -0.2469 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0694 0.7939 2.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 2.4460 -2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 2.7586 -3.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 3.2166 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 1.9629 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4926 0.0828 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 1.1889 -2.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 -1.0120 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 0.1154 -3.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 0.1913 -3.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 -0.3885 2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 0.7249 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -4.2301 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.9579 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -5.0580 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 -3.6610 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -1.7605 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 1.4761 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 -3.2879 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 -4.8882 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2359 -0.4790 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 2.7547 -0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -5.7333 0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 3.7316 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 2 66 1 0 0 0 0 3 34 1 0 0 0 0 3 67 1 0 0 0 0 4 34 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 43 1 0 0 0 0 14 19 2 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 29 32 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 M END > DB12808 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MFBCDACCJCDGBA-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O > InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33) > MFBCDACCJCDGBA-UHFFFAOYSA-N > C29H33NO4 > 459.586 > 459.240958547 > 5 > 67 > 53.10819293435552 > 1 > 2 > 0 > 0 > 3'-[3-tert-butyl-4-(pyrrolidin-1-yl)phenyl]-4'-(2-hydroxyethoxy)-[1,1'-biphenyl]-4-carboxylic acid > 6.12 > 5.151702798073605 > -5.69 > 1 > 4 > -1 > 15.102131728890384 > 3.972390713797541 > 4.745939114220108 > 70.0 > 136.97760000000002 > 8 > 0 > 9.45e-04 g/l > 3'-[3-tert-butyl-4-(pyrrolidin-1-yl)phenyl]-4'-(2-hydroxyethoxy)-[1,1'-biphenyl]-4-carboxylic acid > 0 $$$$