69955409 -OEChem-04242420492D 69 73 0 1 0 0 0 0 0999 V2000 13.2894 2.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2818 2.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1422 0.9824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.1316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.1316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.8684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2627 2.0106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 0.7894 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1830 1.7856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2869 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4862 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6272 1.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 -0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2346 1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1384 0.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 1.7144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7082 1.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2780 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7006 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8515 3.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6968 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8477 3.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2704 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 2.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 0.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2951 1.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5075 3.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 2.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1919 -0.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9961 -0.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2045 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5008 2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7254 -0.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5337 -0.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 1.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6151 1.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 0.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7003 0.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0676 2.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5477 1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2701 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6450 3.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -3.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -3.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3450 0.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5895 3.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9588 0.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2034 3.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 1.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 55 1 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 35 1 0 0 0 0 4 29 1 0 0 0 0 4 36 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 22 1 0 0 0 0 8 19 1 0 0 0 0 8 23 2 0 0 0 0 9 23 1 0 0 0 0 9 58 1 0 0 0 0 9 59 1 0 0 0 0 10 37 3 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 20 21 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 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 37 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 69955409 > 1 > 774 > 10 > 2 > 8 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAWAACx9AAAHgAQCAAADRzhngYz9vdIFgCwByZiZACiiCkhIqAJmCA+7JiPvqLE+duGPCruwBvb6C+w0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA== > 4-[3-[7-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-hydroxy-propoxy]benzonitrile > 4-[3-[7-(4-amino-6,7-dimethoxy-2-quinazolinyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-hydroxypropoxy]benzonitrile > 4-[3-[7-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-hydroxypropoxy]benzonitrile > 4-[3-[7-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-hydroxypropoxy]benzonitrile > 4-[3-[7-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxidanyl-propoxy]benzenecarbonitrile > 4-[3-[7-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-hydroxy-propoxy]benzonitrile > InChI=1S/C27H32N6O4/c1-35-24-8-22-23(9-25(24)36-2)30-27(31-26(22)29)33-13-18-7-19(14-33)12-32(11-18)15-20(34)16-37-21-5-3-17(10-28)4-6-21/h3-6,8-9,18-20,34H,7,11-16H2,1-2H3,(H2,29,30,31) > GKNKIDHFZPRLQU-UHFFFAOYSA-N > 2.8 > 504.24850352 > C27H32N6O4 > 504.6 > COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC4CC(C3)CN(C4)CC(COC5=CC=C(C=C5)C#N)O)N)OC > COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC4CC(C3)CN(C4)CC(COC5=CC=C(C=C5)C#N)O)N)OC > 130 > 504.24850352 > 0 > 37 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 3 11 13 3 12 13 3 22 24 8 22 25 8 23 24 8 24 26 8 25 28 8 26 29 8 27 30 8 27 31 8 28 29 8 30 32 8 31 33 8 32 34 8 33 34 8 7 19 8 7 22 8 8 19 8 8 23 8 $$$$