129869 -OEChem-10061700033D 68 69 0 1 0 0 0 0 0999 V2000 -1.4494 -0.1220 -0.5368 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.7460 0.1154 0.0213 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 0.0685 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7857 -0.1473 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -0.1448 -1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 0.7688 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 -0.8318 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 0.0541 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -1.2678 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.8888 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.2663 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 1.2007 -0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -1.0485 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 0.3590 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 1.8396 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -1.2436 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7377 -0.7355 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7623 3.1800 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0219 -2.1514 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1974 -0.2903 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6948 -0.9936 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1223 0.5908 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2024 -0.5657 2.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1991 1.7431 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 -0.7385 -1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 0.8255 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 1.8064 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 0.8306 2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -0.8486 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -1.8794 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -0.9348 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 0.5651 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -2.1380 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 -1.3451 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 1.6955 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 1.3318 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -1.1644 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5594 -2.2099 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 1.8916 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 1.1063 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -2.0329 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6157 -0.6833 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 0.6923 0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8692 1.2281 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 2.0315 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 1.2308 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2573 -1.7055 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 -0.3053 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6701 -1.6714 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -0.9937 -2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 3.6332 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 3.8754 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2985 3.0626 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 -2.2874 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6929 -3.1389 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 -1.7236 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7871 -1.1011 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 0.5391 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -1.3193 1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2621 -1.8645 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4991 0.9883 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8006 -0.2112 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7471 0.3759 2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2915 -0.4641 2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9413 -1.3278 3.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4325 2.5006 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1182 1.4111 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1734 2.2370 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 M END > DB05513 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SERHTTSLBVGRBY-UHFFFAOYSA-N/SDF?record_type=3d > CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 > InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3 > SERHTTSLBVGRBY-UHFFFAOYSA-N > C22H44N2 > 336.608 > 336.350449425 > 2 > 68 > 44.457238586665454 > 1 > 0 > 0 > 1 > (3-{8,8-dipropyl-2-azaspiro[4.5]decan-2-yl}propyl)diethylamine > 6.19 > 5.366481747999998 > -5.68 > 0 > 2 > 2 > 10.202416214362195 > 6.48 > 108.20899999999999 > 10 > 0 > 7.01e-04 g/l > atiprimod > 1 $$$$