70508814 -OEChem-05062417412D 65 69 0 1 0 0 0 0 0999 V2000 10.7282 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1769 1.0686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5078 1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6769 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1714 1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5782 2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7592 0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5727 2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1605 1.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 2.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3991 1.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0094 2.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1978 2.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6339 -0.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4853 -0.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2433 -0.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2137 2.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5070 -0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8249 2.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1182 -0.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7771 1.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 6 26 1 0 0 0 0 7 22 1 0 0 0 0 7 27 2 0 0 0 0 8 27 1 0 0 0 0 8 58 1 0 0 0 0 8 59 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 6 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 1 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 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 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 21 24 2 0 0 0 0 21 52 1 0 0 0 0 23 25 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > 70508814 > 1 > 681 > 7 > 1 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAYAAAAA8eIEAAAAAAACx9AAAHgAQAAAADQzBngYz9vdIFACoAydydACCiCkhIqAJmCE+7JiNbrLE+duUNCpuxhvK6Ce42NOOoEABAgACQABAgAIEAASAAQAAAAAAAA== > [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(1S,3S)-3-phenylcyclopentyl]methanone > [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-[(1S,3S)-3-phenylcyclopentyl]methanone > [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1S,3S)-3-phenylcyclopentyl]methanone > [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1S,3S)-3-phenylcyclopentyl]methanone > [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(1S,3S)-3-phenylcyclopentyl]methanone > [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-[(1S,3S)-3-phenylcyclopentyl]methanone > InChI=1S/C26H31N5O3/c1-33-22-15-20-21(16-23(22)34-2)28-26(29-24(20)27)31-12-10-30(11-13-31)25(32)19-9-8-18(14-19)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H2,27,28,29)/t18-,19-/m0/s1 > IDFZGTCXZOGQQN-OALUTQOASA-N > 3.7 > 461.24268987 > C26H31N5O3 > 461.6 > COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCC(C4)C5=CC=CC=C5)N)OC > COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)[C@H]4CC[C@@H](C4)C5=CC=CC=C5)N)OC > 93.8 > 461.24268987 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 5 15 20 8 15 21 8 20 23 8 21 24 8 23 25 8 24 25 8 26 28 8 26 29 8 27 28 8 28 30 8 29 31 8 30 32 8 31 32 8 6 22 8 6 26 8 7 22 8 7 27 8 9 14 6 $$$$