119373 -OEChem-10051720443D 75 80 0 1 0 0 0 0 0999 V2000 10.5982 1.7891 -0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2787 -0.8749 0.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 -2.8441 -0.8651 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3490 0.7520 0.9172 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 2.3945 -1.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 -0.3827 -0.0022 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.8586 0.9941 0.1493 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 -0.1700 -0.3224 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1954 -1.4833 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8353 0.7260 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5541 -2.0934 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2814 0.2885 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6281 -1.0554 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 0.0845 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 -0.8371 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 1.2378 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9762 -1.4360 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 0.8508 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9736 -0.4850 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -0.3569 -0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 -0.7840 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.5182 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 0.5391 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.3359 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7713 0.9663 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 1.1737 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1925 1.5358 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9396 2.1720 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5307 -1.2118 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8398 -0.9347 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2172 0.4731 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5851 1.8648 -0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 2.4395 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8275 -1.2657 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5083 2.8718 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 3.5067 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1727 -2.5362 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7752 -1.9626 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 3.8550 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1055 -3.5640 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4029 -3.2775 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 -3.1422 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 -2.2850 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 -1.1289 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6737 1.4647 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6647 1.2216 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8501 -2.7882 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4623 -2.6683 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 0.2009 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 1.0828 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 -0.9108 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -1.8624 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 2.2830 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 -2.4782 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -1.4643 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 0.8590 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 -0.6768 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 1.6419 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -0.4098 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3315 0.6390 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3361 2.9868 1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5908 1.7127 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 3.1522 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2919 -2.1328 -1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7855 -0.4366 -1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8743 -1.5415 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4996 3.1635 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 4.2882 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7901 -1.7600 0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7729 4.8950 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 -4.5927 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1249 -4.0809 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 -2.3146 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -4.0606 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 -3.2935 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 33 1 0 0 0 0 2 19 1 0 0 0 0 2 34 1 0 0 0 0 3 37 1 0 0 0 0 3 42 1 0 0 0 0 4 31 2 0 0 0 0 5 32 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 23 1 0 0 0 0 7 32 1 0 0 0 0 7 60 1 0 0 0 0 8 26 1 0 0 0 0 8 29 1 0 0 0 0 8 59 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 20 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 22 25 2 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 27 35 1 0 0 0 0 28 32 1 0 0 0 0 28 36 2 0 0 0 0 29 30 2 0 0 0 0 29 37 1 0 0 0 0 30 31 1 0 0 0 0 30 38 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 39 2 0 0 0 0 35 67 1 0 0 0 0 36 39 1 0 0 0 0 36 68 1 0 0 0 0 37 40 2 0 0 0 0 38 41 2 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 40 41 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 M END > DB04881 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OSFCMRGOZNQUSW-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O > InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38) > OSFCMRGOZNQUSW-UHFFFAOYSA-N > C34H33N3O5 > 563.6429 > 563.242021181 > 7 > 75 > 0.9580489964639917 > 63.425474191079026 > 0 > 2 > 0 > 0 > N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-5-methoxy-9-oxo-9,10-dihydroacridine-4-carboxamide > 5.46 > 6.812569417000001 > -5.30 > 1 > 1 > 6 > 1 > 15.921161156978739 > 13.884787614988003 > 8.35864672705135 > 89.13000000000001 > 165.2046999999999 > 8 > 0 > 2.81e-03 g/l > biotin > 0 $$$$