121250885 -OEChem-12152013173D 72 75 0 1 0 0 0 0 0999 V2000 -5.0913 -0.1213 0.9365 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 3.8719 2.5952 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7648 -1.0383 -0.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0895 1.1057 -1.0553 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2406 -1.4934 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6631 0.3110 2.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 -1.8945 0.5083 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2584 -0.1002 0.4967 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 0.3091 0.8921 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -3.0164 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -4.2071 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 -3.8975 1.5982 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1514 -2.3869 1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7406 -3.3213 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.8208 -1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -4.6710 2.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 -0.5367 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 0.2894 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 1.6513 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 1.2297 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -0.2110 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 2.1385 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 1.6629 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 1.1679 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 2.5764 1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 1.5863 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4873 2.9949 1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7518 0.9389 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4704 2.4998 0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8986 -0.2100 -1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2552 -0.8779 -1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8129 0.5026 -1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2117 2.2119 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -0.9850 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0662 -2.2593 -2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 1.3394 -2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 3.0486 -0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7943 2.6125 -2.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 -5.1778 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -4.2375 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -4.1206 2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 -2.1892 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 -1.9394 2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 -2.5110 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -4.2419 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9037 -3.4316 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 -1.9718 -2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 -2.6191 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3697 -3.7097 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -5.7476 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 -4.4830 1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3217 -4.3848 3.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 2.3442 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 3.2003 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1061 0.9521 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 0.4839 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 2.9706 2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 2.8294 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3475 -0.1355 -2.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 -0.8422 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -0.2539 -2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4571 -0.4833 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1668 2.5754 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0253 -1.4714 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2662 0.0040 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5242 -1.5711 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5211 -2.1873 -3.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 -2.7283 -2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 -2.9233 -1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3809 1.0003 -3.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0895 4.0406 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1996 3.2643 -3.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 28 1 0 0 0 0 2 27 1 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 20 2 0 0 0 0 9 21 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 25 27 2 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 27 29 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 32 36 1 0 0 0 0 32 62 1 0 0 0 0 33 37 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 69 1 0 0 0 0 36 38 2 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 M END > DB16262 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NHOUNZMCSIHKHJ-FQEVSTJZSA-N/SDF?record_type=3d > CC(C)COC1=CC(F)=CC(=C1)C1=CC=C(C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=N1)N1C[C@@H](C)CC1(C)C > InChI=1S/C29H34FN3O4S/c1-19(2)18-37-23-14-21(13-22(30)15-23)26-12-11-25(27(31-26)33-17-20(3)16-29(33,4)5)28(34)32-38(35,36)24-9-7-6-8-10-24/h6-15,19-20H,16-18H2,1-5H3,(H,32,34)/t20-/m0/s1 > NHOUNZMCSIHKHJ-FQEVSTJZSA-N > C29H34FN3O4S > 539.67 > 539.225405924 > 6 > 72 > -0.9938685471462214 > 58.17411880156904 > 0 > 1 > 0 > 0 > N-(benzenesulfonyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide > 5.49 > 5.212797595768488 > -5.85 > 1 > -1 > 4 > -1 > 2.810489883378306 > 5.631174733734225 > 88.6 > 147.29510000000002 > 7 > 0 > 7.60e-04 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 0 $$$$