null CDK 0224162149 null 34 38 0 0 0 0 0 0 0 0999 V2000 3.1777 3.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 2.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 1.8212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 1.2991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 2.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 2.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 2.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 1.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 1.6982 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 3.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 3.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 4.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 4.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 5.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 5.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 4.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 5.1480 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 2.9136 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2655 0.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9354 -0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 -2.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3922 -2.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 11 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 16 1 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 18 24 1 0 0 0 0 5 25 1 0 0 0 0 25 26 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 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 M END > CHEBI:91366 > 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid > 2 > C25H15ClF2N4O2 > 476.863 > 476.08516 > 0 > C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O > InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) > HHFBDROWDBDFBR-UHFFFAOYSA-N > LSM-1066 $$$$