11562477 -OEChem-04192408482D 67 71 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 9.8602 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 10.7263 0.0556 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 11.5923 0.5556 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 0.5556 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 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 9.8602 -2.4444 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 3.7359 3.0798 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 9.8602 -1.4444 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 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 9.2497 0.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6482 -0.0270 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 10.3277 -0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1248 -0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2029 1.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8043 2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8043 -0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2029 0.6633 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 8.4573 -4.2544 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 10.4802 -1.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 -1.4444 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 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 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 2 0 0 0 0 6 15 2 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 50 1 0 0 0 0 8 26 1 0 0 0 0 8 36 2 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 2 0 0 0 0 20 53 1 0 0 0 0 21 24 2 0 0 0 0 21 54 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 58 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 37 2 0 0 0 0 34 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 M END > 11562477 > 1 > 700 > 8 > 1 > 7 > AAADceB7gYAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx/AAAHQAQAAAADAjBHxQ/8PfIEACgAzZnZACCgCkxAqAJ2KA4ZJiIaOLA2dGUJAhokALIyCcQgMAOwAAAQAASAACAAACAACQAAAAAAAAAAA== > N-[2-(o-tolyl)ethyl]-2-(1-piperidylmethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine > N-[2-(2-methylphenyl)ethyl]-2-(1-piperidinylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine > N-[2-(2-methylphenyl)ethyl]-2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > N-[2-(2-methylphenyl)ethyl]-2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > N-[2-(2-methylphenyl)ethyl]-2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine > 2-(o-tolyl)ethyl-[2-(piperidinomethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine > InChI=1S/C29H30F3N5/c1-20-8-3-4-9-21(20)13-15-34-28-23-12-11-22(27-24(29(30,31)32)10-7-14-33-27)18-25(23)35-26(36-28)19-37-16-5-2-6-17-37/h3-4,7-12,14,18H,2,5-6,13,15-17,19H2,1H3,(H,34,35,36) > HJMBPIBWYLWRKT-UHFFFAOYSA-N > 6.4 > 505.24533046 > C29H30F3N5 > 505.6 > CC1=CC=CC=C1CCNC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)CN5CCCCC5 > CC1=CC=CC=C1CCNC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)CN5CCCCC5 > 53.9 > 505.24533046 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 17 18 8 17 21 8 18 20 8 20 23 8 21 24 8 23 24 8 25 27 8 25 28 8 26 29 8 27 30 8 28 32 8 29 34 8 30 33 8 32 33 8 34 37 8 36 37 8 5 15 8 5 16 8 6 15 8 6 18 8 8 26 8 8 36 8 $$$$