Mrv0541 11111414152D 39 43 0 0 0 0 999 V2000 -0.1361 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 0.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -1.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -4.0029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -4.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -5.2404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -5.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -4.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -4.0029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -4.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -4.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -4.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -2.7654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2631 1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 1.8041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -2.7706 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 -1.5267 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 -2.3526 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 12 10 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 24 2 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 32 7 1 0 0 0 0 7 33 1 0 0 0 0 30 31 1 0 0 0 0 30 33 2 0 0 0 0 31 32 2 0 0 0 0 30 34 1 0 0 0 0 9 35 2 0 0 0 0 4 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M END > CHEBI:52172 > nilotinib > 3 > nilotinib; AMN107; AMN 107 > 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide > nilotinibum; nilotinib > C28H22F3N7O > 529.51580 > 529.18379 > 0 > Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F > InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) > HHZIURLSWUIHRB-UHFFFAOYSA-N > 641571-10-0 > 641571-10-0 > DB04868 > D08953 > LSM-1099 > Nilotinib $$$$