3055 -OEChem-10051719323D 50 52 0 0 0 0 0 0 0999 V2000 1.1482 -0.3200 1.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 -0.9188 0.1978 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 0.4627 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -1.8034 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 -1.4115 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2296 1.0106 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1212 -1.3296 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3842 0.1155 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 -0.5589 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1265 -1.0794 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 -0.2731 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 1.2144 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -0.9290 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 1.5646 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 -0.9279 1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7933 2.1249 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 -1.4884 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 2.9143 -1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8909 -1.5240 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 3.4744 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -2.0843 -1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 3.8694 -0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0418 -2.1026 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 0.5285 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1449 1.1512 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5896 -2.8212 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 -1.8564 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 -1.4154 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -2.4465 0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3807 2.0231 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2221 1.0889 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1751 -1.4167 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9034 -1.9777 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3219 0.4674 0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5010 0.1732 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3409 -0.5697 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 0.4793 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 -1.1230 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 -2.1205 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -1.2488 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 0.8488 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5916 -0.4751 2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.8462 2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -1.4695 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 3.2215 -2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -1.5352 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 4.2179 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 -2.5276 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 4.9200 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 -2.5645 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 9 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 8 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 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 20 2 0 0 0 0 16 43 1 0 0 0 0 17 21 2 0 0 0 0 17 44 1 0 0 0 0 18 22 2 0 0 0 0 18 45 1 0 0 0 0 19 23 2 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 M END > DB01231 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OGAKLTJNUQRZJU-UHFFFAOYSA-N/SDF?record_type=3d > OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2 > OGAKLTJNUQRZJU-UHFFFAOYSA-N > C21H27NO > 309.4452 > 309.209264491 > 2 > 50 > 0.9941919038964093 > 36.660243696209086 > 1 > 1 > 0 > 1 > 1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol > 4.08 > 4.221518408333333 > -4.72 > 1 > 1 > 3 > 1 > 13.398821031355267 > 9.233466452494154 > 23.47 > 96.91840000000003 > 6 > 1 > 5.87e-03 g/l > biotin > 1 $$$$