69439150 -OEChem-04272400092D 73 77 0 0 0 0 0 0 0999 V2000 5.1005 2.7085 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 4.0731 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 4.4444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.0556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.9444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.5831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 0.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 3.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -4.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -4.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 3.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 3.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 3.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 0.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 -0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 -0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 -0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9349 1.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5364 2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5364 -0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9349 0.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1248 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -1.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7388 -1.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 -0.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 2.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -0.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 -2.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9161 -3.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -5.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8182 -3.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 -4.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4382 -4.9813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -4.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 4.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 3.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 53 1 0 0 0 0 5 17 1 0 0 0 0 5 18 2 0 0 0 0 6 17 2 0 0 0 0 6 19 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 56 1 0 0 0 0 8 28 1 0 0 0 0 8 38 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 25 2 0 0 0 0 22 59 1 0 0 0 0 23 26 2 0 0 0 0 23 60 1 0 0 0 0 24 27 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 2 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 35 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 36 39 2 0 0 0 0 36 71 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 M END > 69439150 > 1 > 730 > 8 > 2 > 9 > AAADcfB7gYAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACx/AAAHQAQAAAADQjBHxQ/8PbIEACgAzZnZACCgCkxAqAJ2KA4ZJiIaOLA2dGUJAhokALIyCcQgMAOwAAAQAASAACAAACAACQAAAAAAAAAAA== > 2-[(cyclohexylmethylamino)methyl]-N-[2-(o-tolyl)ethyl]-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine > 2-[(cyclohexylmethylamino)methyl]-N-[2-(2-methylphenyl)ethyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine > 2-[(cyclohexylmethylamino)methyl]-N-[2-(2-methylphenyl)ethyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > 2-[(cyclohexylmethylamino)methyl]-N-[2-(2-methylphenyl)ethyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > 2-[(cyclohexylmethylamino)methyl]-N-[2-(2-methylphenyl)ethyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > cyclohexylmethyl-[[4-[2-(o-tolyl)ethylamino]-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-2-yl]methyl]amine > InChI=1S/C31H34F3N5/c1-21-8-5-6-11-23(21)15-17-37-30-25-14-13-24(29-26(31(32,33)34)12-7-16-36-29)18-27(25)38-28(39-30)20-35-19-22-9-3-2-4-10-22/h5-8,11-14,16,18,22,35H,2-4,9-10,15,17,19-20H2,1H3,(H,37,38,39) > UGVDLLCNMJDURM-UHFFFAOYSA-N > 7.4 > 533.27663059 > C31H34F3N5 > 533.6 > CC1=CC=CC=C1CCNC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)CNCC5CCCCC5 > CC1=CC=CC=C1CCNC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)CNCC5CCCCC5 > 62.7 > 533.27663059 > 0 > 39 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 20 8 19 20 8 19 22 8 20 23 8 22 25 8 23 26 8 25 26 8 27 29 8 27 30 8 28 31 8 29 32 8 30 34 8 31 36 8 32 35 8 34 35 8 36 39 8 38 39 8 5 17 8 5 18 8 6 17 8 6 19 8 8 28 8 8 38 8 $$$$