5326967 -OEChem-10051720383D 81 85 0 1 0 0 0 0 0999 V2000 12.4031 2.6807 0.5162 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -0.3632 -0.1904 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 1.0505 -0.7275 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8115 -0.6566 0.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3027 1.2902 -0.7928 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2807 -1.0368 0.0074 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5260 -2.0786 -1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0227 -1.4343 -2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4019 -0.0249 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 -0.6589 -2.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 0.1292 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8854 -1.2314 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5276 -0.5361 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9764 1.3783 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 -1.4072 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 2.1663 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7937 3.6103 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1437 4.2395 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 -0.7142 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2640 3.4817 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1725 1.9883 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -1.5514 0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5059 0.7806 1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -0.7850 0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9731 -0.0123 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6559 -1.6048 1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 -0.8519 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 -1.6619 1.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 -0.9336 1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1283 -0.7532 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4851 1.6789 1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4996 1.8592 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2864 -0.0515 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1469 -2.1552 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4359 -0.7857 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3097 -2.8656 -0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4559 -2.1794 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2640 -1.5797 0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2911 -2.7857 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6445 -2.6904 -1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1922 -2.2051 -3.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -0.7606 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1608 -1.3649 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4895 0.0063 -3.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8801 -0.0791 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 -2.1401 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 -1.5414 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5364 0.3882 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -0.2409 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 -2.3381 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -1.6888 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8487 1.6954 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6292 2.1762 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6291 3.6360 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 4.1888 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1554 5.2902 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3073 4.2215 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -0.4736 -0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 0.2399 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2268 3.6988 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2322 3.8364 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7591 -2.4864 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 -1.8214 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7659 0.6422 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.1609 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 -0.5338 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0144 1.1363 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 -2.5608 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 -1.8357 2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 0.1125 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1679 -0.6374 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 -1.8788 2.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -2.6269 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4293 -0.0013 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -1.5551 2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4827 -1.3492 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5669 2.2829 2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2694 -2.7262 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3472 -0.2710 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3207 -3.9487 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3681 -2.7247 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 45 1 0 0 0 0 3 11 1 0 0 0 0 3 32 1 0 0 0 0 3 67 1 0 0 0 0 4 25 1 0 0 0 0 4 29 1 0 0 0 0 4 76 1 0 0 0 0 5 21 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 11 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 14 25 2 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 22 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 31 2 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 28 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 32 1 0 0 0 0 31 77 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 78 1 0 0 0 0 35 37 1 0 0 0 0 35 79 1 0 0 0 0 36 37 2 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 M END > DB04615 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ROTFGKJJMRTWBD-MHZLTWQESA-N/SDF?record_type=3d > O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12 > InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1 > ROTFGKJJMRTWBD-MHZLTWQESA-N > C32H44N4O > 500.718 > 500.35151205 > 4 > 81 > 1.9848979652648566 > 60.16208452595422 > 0 > 3 > 0 > 0 > (5S)-5-({10-[(1,2,3,4-tetrahydroacridin-9-yl)amino]decyl}amino)-1,2,5,6,7,8-hexahydroquinolin-2-one > 6.89 > 5.87592139419977 > -5.82 > 1 > 2 > 5 > 2 > 11.334501820374326 > 9.94170638989199 > 66.05000000000001 > 155.79529999999994 > 13 > 0 > 7.51e-04 g/l > tetrahydrofolic acid > 0 $$$$