69951209 -OEChem-04232408272D 70 73 0 1 0 0 0 0 0999 V2000 8.9942 -3.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9942 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.2679 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5301 0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4942 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9942 3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 1.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 0.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 0.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 2.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 2.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9692 0.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9692 1.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 -0.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -0.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6019 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8822 1.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 1.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1019 4.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 3.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6142 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 4.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 1.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 1.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 1.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -2.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -3.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -2.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 21 2 0 0 0 0 3 33 1 0 0 0 0 3 35 1 0 0 0 0 4 34 1 0 0 0 0 4 36 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 7 28 1 0 0 0 0 8 22 1 0 0 0 0 8 29 2 0 0 0 0 9 29 1 0 0 0 0 9 63 1 0 0 0 0 9 64 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 19 24 2 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 26 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > 69951209 > 1 > 714 > 9 > 1 > 9 > AAADcfB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwAQAAAADgzBng4z9vdIFACoA6ZyZACCiCkhIqAJmCG+7JiNLqLE+fuENCpuwBvK6Cew0NMPoEABAgACQABAgAIEAASAAAAAAAAAAA== > 1-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-(4-fluorophenyl)-1-piperidyl]butan-2-one > 1-[4-[[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]methyl]-4-(4-fluorophenyl)-1-piperidinyl]-2-butanone > 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-(4-fluorophenyl)piperidin-1-yl]butan-2-one > 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-(4-fluorophenyl)piperidin-1-yl]butan-2-one > 1-[4-[[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-(4-fluorophenyl)piperidin-1-yl]butan-2-one > 1-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-(4-fluorophenyl)piperidino]butan-2-one > InChI=1S/C27H34FN5O3/c1-5-20(34)16-33-12-10-27(11-13-33,18-6-8-19(28)9-7-18)17-32(2)26-30-22-15-24(36-4)23(35-3)14-21(22)25(29)31-26/h6-9,14-15H,5,10-13,16-17H2,1-4H3,(H2,29,30,31) > BTXDFUUNYYYGEK-UHFFFAOYSA-N > 4.2 > 495.26456813 > C27H34FN5O3 > 495.6 > CCC(=O)CN1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=C(C=C4)F > CCC(=O)CN1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=C(C=C4)F > 93.8 > 495.26456813 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 8 16 19 8 18 23 8 19 24 8 23 25 8 24 25 8 28 30 8 28 31 8 29 30 8 30 32 8 31 33 8 32 34 8 33 34 8 7 22 8 7 28 8 8 22 8 8 29 8 $$$$