3678 -OEChem-10051719383D 48 49 0 0 0 0 0 0 0999 V2000 0.0087 2.2136 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 1.4345 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 2.7661 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 0.8103 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 1.6450 -0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 3.2886 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -0.1027 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 0.6455 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 4.1090 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -0.7554 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3557 -0.4469 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3803 -1.9798 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 -0.2754 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1252 -0.1211 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -1.6062 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6295 -2.5838 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5822 -1.2861 0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 -0.7251 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9448 -2.6168 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6266 -1.9566 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 -2.4567 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.0502 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 0.5928 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4069 3.4832 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6502 3.2870 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 1.5532 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 0.2050 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 1.1524 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 2.1083 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 2.8875 0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 3.9490 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 0.4492 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.8793 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 0.1804 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 1.1645 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 4.7865 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4066 3.4733 2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4827 4.7404 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -2.4754 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9164 0.6334 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 0.8391 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 -1.7392 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8261 -3.5423 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5881 -1.1613 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 -0.2364 1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 -3.5282 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5995 -2.4267 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9728 -3.2435 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 5 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 8 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 18 2 0 0 0 0 14 41 1 0 0 0 0 15 19 2 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 20 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 M END > DB01616 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPFXAOWNKLFJDN-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1 > InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3 > ZPFXAOWNKLFJDN-UHFFFAOYSA-N > C20H27N > 281.4351 > 281.214349869 > 1 > 48 > 0.9996382587798084 > 35.416027678755306 > 1 > 0 > 0 > 1 > ethylbis(3-phenylpropyl)amine > 5.73 > 5.462383394999999 > -5.47 > 0 > 1 > 2 > 1 > 10.441444870189164 > 3.24 > 92.67390000000003 > 9 > 0 > 9.60e-04 g/l > biotin > 1 $$$$