6918837 -OEChem-01162020263D 49 51 0 0 0 0 0 0 0999 V2000 8.4589 0.5614 0.9068 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -1.5800 0.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5334 1.2299 0.0374 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 0.5486 0.0148 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6679 -1.5781 0.0577 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4787 0.5482 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 0.5511 0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -0.6014 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 1.6586 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5732 -0.1458 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 0.5750 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 -1.9900 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 3.0977 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6368 -1.0130 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 0.5820 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1068 -2.8692 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3783 -2.3860 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 0.5625 -0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 -0.6538 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 1.7608 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 -0.6721 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 1.7426 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 0.5260 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 0.5068 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 -0.5289 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9814 -0.4330 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.4170 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 -0.3326 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 1.4796 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -0.2862 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3245 1.8319 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -0.2975 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -2.3840 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7358 3.3690 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0899 3.3474 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 3.7208 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6269 -0.6378 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 -0.2705 -1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 1.4830 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 -3.9412 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1827 -3.0869 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -1.5925 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 2.7137 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0828 -1.6430 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 2.6867 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0852 1.4178 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -1.4497 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2864 -2.4324 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1327 -2.4984 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 5 1 0 0 0 0 2 49 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 32 1 0 0 0 0 5 26 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 M END > DB06603 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FPOHNWQLNRZRFC-ZHACJKMWSA-N/SDF?record_type=3d > CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1 > InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ > FPOHNWQLNRZRFC-ZHACJKMWSA-N > C21H23N3O2 > 349.434 > 349.179026993 > 3 > 49 > 0.9961105553059759 > 38.939232416903494 > 1 > 4 > 0 > 1 > (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide > 3.16 > 2.4776242830059205 > -5.25 > 1 > 1 > 3 > 1 > 14.086856253292172 > 9.308886201610063 > 9.952454825642205 > 77.15 > 105.49850000000004 > 7 > 1 > 1.98e-03 g/l > edaglitazone > 0 $$$$