69950197 -OEChem-05112410462D 70 73 0 1 0 0 0 0 0999 V2000 8.9942 -4.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 4.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.1651 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5301 -0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4942 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9942 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 0.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 -0.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 1.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9692 0.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9692 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 -1.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -1.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6019 3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 2.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -1.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -1.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3866 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0768 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8822 0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -2.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -2.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 2.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6142 3.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 3.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 1.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 0.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -3.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -3.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -3.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 26 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 21 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 20 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 26 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 23 25 2 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 26 27 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 > 69950197 > 1 > 714 > 9 > 1 > 9 > AAADcfB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwAQAAAADgzBng4z9vdIFACoA6ZyZACCiCkhIqAJmCE+7JiNLqrE+duENCpuwBvK6Cew0NMPoEABAgACQABAgAIEAASAAAAAAAAAAA== > 4-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-(4-fluorophenyl)-1-piperidyl]butan-2-one > 4-[4-[[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]methyl]-4-(4-fluorophenyl)-1-piperidinyl]-2-butanone > 4-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-(4-fluorophenyl)piperidin-1-yl]butan-2-one > 4-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-(4-fluorophenyl)piperidin-1-yl]butan-2-one > 4-[4-[[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-(4-fluorophenyl)piperidin-1-yl]butan-2-one > 4-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]methyl]-4-(4-fluorophenyl)piperidino]butan-2-one > InChI=1S/C27H34FN5O3/c1-18(34)9-12-33-13-10-27(11-14-33,19-5-7-20(28)8-6-19)17-32(2)26-30-22-16-24(36-4)23(35-3)15-21(22)25(29)31-26/h5-8,15-16H,9-14,17H2,1-4H3,(H2,29,30,31) > OUGJNHPNQJTAFS-UHFFFAOYSA-N > 3.6 > 495.26456813 > C27H34FN5O3 > 495.6 > CC(=O)CCN1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=C(C=C4)F > CC(=O)CCN1CCC(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 $$$$