2793 -OEChem-10051722003D 71 75 0 0 0 0 0 0 0999 V2000 0.3419 -4.3994 -2.0531 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 3.0033 1.3128 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4745 0.1479 -0.2152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 1.4220 -0.0935 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8221 2.8814 -0.7467 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 -0.0391 -0.6794 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 1.0846 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 1.1621 -1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4643 0.6352 1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 1.9634 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 1.4568 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2682 0.0780 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 -1.1796 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4647 -0.8604 0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1312 -2.1591 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 2.4154 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0219 -2.2507 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 2.1595 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6361 2.0897 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 0.6735 -1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 -1.2578 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0064 0.4783 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 -1.6199 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 0.1838 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 -0.7137 2.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0991 -0.6520 2.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -2.1470 -1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7126 1.3090 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -2.8291 1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9642 0.6879 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 -3.3467 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.8131 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -3.6875 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6199 1.4973 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 1.5845 -2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 0.1862 -1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -0.4054 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 0.7369 2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 1.8949 -2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 3.0225 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 2.4899 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5463 1.0207 1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 1.0488 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 -0.3033 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 -1.6415 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 -1.1780 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1582 -0.4444 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0145 -0.9322 1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7369 -3.1524 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7323 -1.8349 -1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 -2.7358 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8971 -2.8742 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6205 3.2164 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 1.7811 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 2.6181 -2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 2.6861 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3035 3.7692 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0253 2.3494 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 0.6786 -2.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 0.1839 -1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 0.2756 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -1.1135 3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4554 -0.2258 2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 -1.6614 1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 -1.9174 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 1.5673 -2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 -3.1088 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 0.4498 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 2.4378 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -4.6156 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6152 1.8741 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 5 16 1 0 0 0 0 5 57 1 0 0 0 0 5 58 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 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 15 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 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 28 2 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 30 2 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 31 2 0 0 0 0 27 65 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 33 2 0 0 0 0 29 67 1 0 0 0 0 30 34 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 M END > DB09003 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QAZKXHSIKKNOHH-UHFFFAOYSA-N/SDF?record_type=3d > OC(=N)C1(CCN(CCCN2C3=CC=CC=C3CCC3=C2C=C(Cl)C=C3)CC1)N1CCCCC1 > InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34) > QAZKXHSIKKNOHH-UHFFFAOYSA-N > C28H37ClN4O > 481.073 > 480.265589533 > 5 > 71 > 1.076945672751223 > 55.32459578635134 > 1 > 2 > 0 > 0 > 1'-(3-{14-chloro-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)-[1,4'-bipiperidine]-4'-carboximidic acid > 4.69 > 2.8250862324571333 > -4.94 > 1 > 1 > 5 > 1 > -3.957962275210851 > 13.069759768363621 > 53.80000000000001 > 151.88669999999996 > 6 > 1 > 5.50e-03 g/l > biotin > 0 $$$$