10161381 -OEChem-10051722493D 64 67 0 0 0 0 0 0 0999 V2000 -2.1027 -5.0547 1.1619 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 -2.6990 -0.5198 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 3.4275 1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -1.0222 0.8092 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 0.3646 0.1517 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4447 1.1446 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 3.3665 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9704 2.5457 -1.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 3.3177 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7599 1.9332 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 1.1149 -1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 1.8848 1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 3.3096 -1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4752 4.0778 0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 3.2612 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 -0.2805 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -2.1923 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 -2.8595 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 -2.1383 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 -4.1436 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -2.7260 -0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -4.7313 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 -4.0223 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 -1.9682 -1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -1.1523 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3967 -0.4151 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 1.0812 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 1.8986 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 2.6776 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5546 3.9135 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 2.5106 -2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3452 3.8306 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0197 1.9664 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5894 1.4275 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 0.5896 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 0.5706 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 1.3708 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 1.9164 2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1015 2.8178 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2017 4.3261 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 5.1080 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 4.1388 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 2.7348 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 4.2769 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 -0.7929 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7924 -0.2661 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -0.7280 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 -1.1290 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6175 -5.7403 0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4829 -4.4905 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -2.6651 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0606 -1.3010 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -1.8199 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 -0.4309 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 -1.1433 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.2466 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 -0.2512 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 1.7558 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9304 0.3756 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 2.5994 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 1.2435 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 3.3776 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8601 2.0108 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 2.7968 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 17 2 0 0 0 0 3 29 1 0 0 0 0 3 64 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 47 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 57 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > DB12594 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HSQAARMBHJCUOK-UHFFFAOYSA-N/SDF?record_type=3d > OCCCNCCCC1=CC(C(=O)NCC23CC4CC(CC(C4)C2)C3)=C(Cl)C=C1 > InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29) > HSQAARMBHJCUOK-UHFFFAOYSA-N > C24H35ClN2O2 > 419.01 > 418.2387061 > 3 > 64 > 47.82861071289416 > 1 > 3 > 0 > 1 > N-[(adamantan-1-yl)methyl]-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide > 4.33 > 3.738932881000001 > -6.09 > 1 > 4 > 1 > 15.93605206916381 > 13.640184108522266 > 9.93528027887973 > 61.36 > 118.78409999999998 > 10 > 1 > 3.40e-04 g/l > N-(adamantan-1-ylmethyl)-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide > 0 $$$$