58970431 -OEChem-05102402352D 66 69 0 1 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 3 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 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 2.8641 1.5831 0.0000 N 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 6.3961 0.5556 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 8.1282 -1.4444 0.0000 C 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 10.7263 3.0556 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 9.8602 0.5556 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 4.5961 1.5764 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 5.5022 0.0210 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 -3.9444 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 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 10.7263 1.4356 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 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 11.2823 1.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9023 2.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3463 3.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 3.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1063 3.0556 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 9.2402 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4802 0.5556 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 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 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 34 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 53 1 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 11 2 0 0 0 0 7 14 1 0 0 0 0 8 26 1 0 0 0 0 8 35 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 27 31 1 0 0 0 0 27 57 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 33 36 2 0 0 0 0 33 64 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > 58970431 > 1 > 674 > 8 > 1 > 8 > AAADceB7gYAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/AAAHQAQAAAADCjBHxQ/8PfIEACgAzZnZACCgCkxAqAJ2KA4ZJiIaOLA2dGUJAhokALIyCcQgMAOwAAAQAASAACAAACAACQAAAAAAAAAAA== > 2-[[isopropyl(methyl)amino]methyl]-N-[2-(o-tolyl)ethyl]-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine > N-[2-(2-methylphenyl)ethyl]-2-[[methyl(propan-2-yl)amino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine > N-[2-(2-methylphenyl)ethyl]-2-[[methyl(propan-2-yl)amino]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > N-[2-(2-methylphenyl)ethyl]-2-[[methyl(propan-2-yl)amino]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > N-[2-(2-methylphenyl)ethyl]-2-[[methyl(propan-2-yl)amino]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > isopropyl-methyl-[[4-[2-(o-tolyl)ethylamino]-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-2-yl]methyl]amine > InChI=1S/C28H30F3N5/c1-18(2)36(4)17-25-34-24-16-21(26-23(28(29,30)31)10-7-14-32-26)11-12-22(24)27(35-25)33-15-13-20-9-6-5-8-19(20)3/h5-12,14,16,18H,13,15,17H2,1-4H3,(H,33,34,35) > YAICVDVQRMNHSK-UHFFFAOYSA-N > 6.3 > 493.24533046 > C28H30F3N5 > 493.6 > CC1=CC=CC=C1CCNC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)CN(C)C(C)C > CC1=CC=CC=C1CCNC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)CN(C)C(C)C > 53.9 > 493.24533046 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 14 8 12 23 8 14 20 8 20 21 8 21 24 8 22 25 8 22 27 8 23 24 8 25 29 8 26 28 8 27 31 8 28 33 8 29 32 8 31 32 8 33 36 8 35 36 8 6 11 8 6 13 8 7 11 8 7 14 8 8 26 8 8 35 8 $$$$