HMDB0254805 RDKit 3D 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amin... 49 53 0 0 0 0 0 0 0 0999 V2000 8.4212 2.6853 0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 1.7155 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0376 1.2146 -1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8149 1.1047 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4604 0.0397 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 -0.5470 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 -0.1064 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -0.8047 -0.3334 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -0.2916 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 0.9108 0.7815 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6786 1.4488 1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 0.7072 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 -0.5574 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7231 -1.0730 0.1747 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 -1.4705 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 -2.7735 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -3.7210 0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -3.3730 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 -4.6173 0.9128 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8737 -2.0658 0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8728 -1.1015 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3865 0.2386 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5861 0.4296 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2039 1.6815 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 2.5521 0.8670 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2683 2.0356 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7691 1.1838 -1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1484 -0.0285 -1.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -0.3964 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 -1.5819 -1.6022 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 1.2695 1.0797 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 1.3631 1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 0.9489 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 1.5415 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 1.1150 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -0.3079 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -1.3856 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -1.7884 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 2.4217 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 -2.9793 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 -4.7547 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9082 -1.7034 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7406 3.0044 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6192 1.4986 -2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5557 -0.6845 -2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 2.4228 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8519 0.8654 2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 1.3327 1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 2.3821 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 22 31 2 0 31 32 1 0 7 33 1 0 33 34 2 0 34 4 1 0 14 9 1 0 21 15 1 0 29 23 1 0 32 12 1 0 3 35 1 0 5 36 1 0 6 37 1 0 8 38 1 0 11 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 26 43 1 0 27 44 1 0 28 45 1 0 32 46 1 0 32 47 1 0 33 48 1 0 34 49 1 0 M END