9829526 -OEChem-10061700063D 65 70 0 0 0 0 0 0 0999 V2000 -8.9336 -0.4877 -2.4059 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 1.2529 0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 2.2160 -0.2248 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 0.1251 0.3155 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 0.4050 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 0.9899 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 0.3901 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 2.3348 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 1.7583 1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -0.9236 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -0.7805 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 3.4926 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 0.6366 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7296 3.3384 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -2.1584 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7080 -1.8567 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 2.3010 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 -3.2561 -0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 -3.1061 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 2.1179 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 1.0791 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -0.2975 1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 1.3238 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4645 -0.8827 0.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 -1.1187 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 -2.2535 1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -0.0298 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6714 -2.4917 2.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 -3.0482 1.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 0.8282 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2605 -1.0395 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8909 0.6733 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4637 -1.1945 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7789 -0.3380 -1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9905 1.1425 -2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 0.2899 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 -0.3618 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 0.1134 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 3.0926 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 2.6584 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 1.6085 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8736 2.4874 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 3.8317 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 4.2740 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 1.1281 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 0.7551 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 3.1264 2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 4.3088 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 -2.2776 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7859 -1.7380 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 1.3296 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 2.6105 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -4.2343 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7746 -3.9692 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 1.8412 2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 3.0741 1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 2.2571 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 -0.7018 2.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 -2.7593 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 -3.1308 2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 -4.1204 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 1.6115 -1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1444 -1.6422 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1346 1.3361 -2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1696 -1.9620 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 2 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 26 59 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 28 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 M END > DB06555 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XWAONOGAGZNUSF-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)N1C=C(CCCCN2CCC3(CC2)OCC2=CC=CC=C32)C2=CC=CC=C12 > InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2 > XWAONOGAGZNUSF-UHFFFAOYSA-N > C30H31FN2O > 454.589 > 454.242041789 > 2 > 65 > 51.862384445032674 > 1 > 0 > 0 > 0 > 1'-{4-[1-(4-fluorophenyl)-1H-indol-3-yl]butyl}-3H-spiro[2-benzofuran-1,4'-piperidine] > 6.08 > 6.576194790333334 > -6.41 > 1 > 6 > 1 > 9.578658269144773 > 17.4 > 146.38649999999996 > 6 > 0 > 1.76e-04 g/l > siramesine > 1 $$$$