656986 -OEChem-10051720383D 70 74 0 0 0 0 0 0 0999 V2000 4.5424 1.0069 1.1526 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0694 -1.7018 -0.7919 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 0.3101 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6561 0.6819 0.6292 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 0.5680 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 2.0338 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6496 2.4332 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9401 1.4454 -2.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1786 0.0494 -2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 -0.3719 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 0.0933 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -1.2745 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 2.7495 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 2.3300 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 1.7822 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 2.2387 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.2901 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 -2.1484 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 1.7276 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1594 0.7985 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3918 -1.7750 1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -3.5086 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5653 1.2112 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -3.1398 1.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -4.0077 1.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9023 0.4103 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8396 -0.4860 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3859 1.4374 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2117 -0.3120 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -1.5345 -1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7465 1.5274 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1137 -1.2047 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3349 -2.4127 -1.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6879 -2.2472 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 2.6571 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5983 2.2951 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5432 3.4470 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5034 2.4532 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 1.4247 -3.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8210 1.7664 -3.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 -0.6756 -2.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1517 0.0244 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 2.8070 2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 3.7578 0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 1.7158 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 0.7744 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 2.3692 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 3.0900 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 0.7465 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 3.2513 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 2.2863 1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.2613 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 0.2724 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2794 2.7537 0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1905 1.7337 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 -0.2337 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 0.8081 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 -1.1413 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7549 -4.2091 -0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 2.2371 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6247 1.1889 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6151 -3.5239 2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 -5.0744 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -0.4248 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7411 2.1674 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3675 -1.7084 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1609 2.3084 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1792 -1.0967 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0008 -3.2219 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4158 -2.9278 -1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 1 49 1 0 0 0 0 2 10 2 0 0 0 0 2 18 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 3 64 1 0 0 0 0 4 29 1 0 0 0 0 4 31 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 11 12 1 0 0 0 0 12 18 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 29 32 2 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 34 2 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 M END > DB04616 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UNVOAAWEEGAXTN-UHFFFAOYSA-N/SDF?record_type=3d > C(CCCCNC1=C2CCCCC2=NC2=CC=CC=C12)CCCNC1=CC=NC2=CC=CC=C12 > InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34) > UNVOAAWEEGAXTN-UHFFFAOYSA-N > C30H36N4 > 452.6336 > 452.293997172 > 4 > 70 > 1.9135759056813129 > 54.49204006255528 > 0 > 2 > 0 > 0 > N1-(quinolin-4-yl)-N8-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine > 7.38 > 6.717599491666666 > -5.88 > 1 > 2 > 5 > 2 > 8.968026304026393 > 49.84 > 143.34959999999998 > 11 > 0 > 5.97e-04 g/l > biotin > 0 $$$$