9417 -OEChem-10051722553D 56 59 0 0 0 0 0 0 0999 V2000 7.6660 0.6517 0.6548 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 -1.2631 0.0536 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -0.9539 0.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 -0.0595 -0.7211 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3669 -1.9755 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -1.0188 1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 -1.1962 -1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 -0.2406 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 -2.0088 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -2.2211 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 -0.2099 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 -0.9340 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 -0.0608 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -0.5628 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 1.2886 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -0.2443 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 2.0492 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 -1.3993 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.9316 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 0.5229 2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 1.5037 1.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 -0.7664 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 3.3909 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9653 -1.9002 -0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 3.2635 -1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -1.5823 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 3.9953 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -2.0818 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 -2.9839 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 -1.9642 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 -0.4277 1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -1.7851 -1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4036 -0.2496 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 0.7690 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 -0.1400 1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -2.9898 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -1.4737 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -2.8808 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4184 -2.7938 -0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 0.7797 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2372 -0.7403 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5022 -1.1470 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -0.4674 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7621 -1.0375 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9874 0.5240 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4275 -1.6624 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 1.4162 -2.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 0.2703 3.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3797 1.9766 2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0728 -0.5416 2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 3.9821 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1931 0.7182 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 -2.5330 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 3.7251 -2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3987 -1.9698 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 5.0308 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 52 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 23 2 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 19 25 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 27 1 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 M END > DB12930 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YNZFUWZUGRBMHL-UHFFFAOYSA-N/SDF?record_type=3d > OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1 > InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2 > YNZFUWZUGRBMHL-UHFFFAOYSA-N > C23H29N3O > 363.505 > 363.231062566 > 4 > 56 > 42.64704881605617 > 1 > 1 > 0 > 1 > 2-[4-(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-yl}propyl)piperazin-1-yl]ethan-1-ol > 3.13 > 3.239064704666667 > -3.54 > 1 > 4 > 1 > 15.593097818988571 > 7.860889975854914 > 29.950000000000003 > 114.06459999999996 > 6 > 1 > 1.05e-01 g/l > 2-[4-(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-yl}propyl)piperazin-1-yl]ethanol > 1 $$$$