91667513 -OEChem-12152013173D 57 60 0 0 0 0 0 0 0999 V2000 -6.0645 3.0036 1.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9149 -3.9069 -1.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 2.0445 -1.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6079 0.9676 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 -1.0516 -0.0207 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -3.6942 1.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 -1.2629 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8324 -0.2947 1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 -0.5469 -0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5475 0.0928 -0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2261 0.3214 1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 -1.8930 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 2.3024 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -3.2672 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 -1.6181 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9631 -3.8126 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1263 -2.9792 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 2.9241 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -0.6704 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 -3.5592 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 -0.0941 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -0.3337 -1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 4.2333 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 0.8184 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 0.5789 -1.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.1548 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1845 1.9013 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7539 0.6389 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 3.0195 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9244 0.4948 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9563 2.8754 1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5255 1.6130 1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -2.0653 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 0.2349 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 -1.2537 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5994 -0.8202 2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 0.5076 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9742 -0.4527 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7768 0.6258 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3139 -0.6801 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 1.0338 2.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0903 -3.9124 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -4.8877 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8701 2.3456 -1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 -0.3424 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 -0.7742 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4899 4.7122 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7271 4.8595 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 1.2686 1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 0.8367 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 -3.4068 1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 -4.0851 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 -0.2459 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 4.0051 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3706 -0.4874 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 3.7461 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4374 1.5009 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 20 2 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 12 2 0 0 0 0 5 15 1 0 0 0 0 6 20 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 38 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 42 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 18 23 2 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 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 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END > DB16272 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MZPVEMOYADUARK-UHFFFAOYSA-N/SDF?record_type=3d > NC(=O)C1=CC=C(N=C1C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCN(CC1)C(=O)C=C > InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31) > MZPVEMOYADUARK-UHFFFAOYSA-N > C26H25N3O3 > 427.504 > 427.189591677 > 3 > 57 > 6.738878303459336e-05 > 46.22419375829652 > 1 > 1 > 0 > 1 > 2-(4-phenoxyphenyl)-6-[1-(prop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide > 4.09 > 3.7407598926666674 > -5.25 > 1 > 0 > 4 > 0 > 14.179207314312476 > 2.8290931657881 > 85.52000000000001 > 123.2212 > 6 > 1 > 2.39e-03 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 0 $$$$