60835 -OEChem-10051719163D 40 42 0 1 0 0 0 0 0999 V2000 -1.5366 -1.8702 1.6645 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1372 0.3493 -0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 1.9586 -0.4704 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 0.2805 -0.0442 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3929 1.1277 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 1.1498 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 -1.1784 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 0.9109 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 0.1853 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 0.8106 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -2.0393 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 2.2338 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 -1.1470 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 2.1430 0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0518 2.8488 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 0.0852 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -3.3338 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -3.3816 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 1.9570 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4787 -1.8527 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 -1.2377 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 0.7048 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 0.7537 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0351 2.1536 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 1.5650 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 0.1304 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 -1.7812 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8772 1.5885 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 2.8093 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 -1.6575 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 2.6439 1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 3.8796 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4295 0.5458 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 -4.1868 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 -4.2318 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6693 2.5799 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7645 2.3759 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 0.9480 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 -2.8826 -0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5383 -1.7877 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 20 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END > DB00476 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZEUITGRIYCTCEM-KRWDZBQOSA-N/SDF?record_type=3d > CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1 > InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 > ZEUITGRIYCTCEM-KRWDZBQOSA-N > C18H19NOS > 297.415 > 297.118734925 > 2 > 40 > 0.9980204663334713 > 33.152786513990414 > 1 > 1 > 0 > 1 > methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine > 4.72 > 4.197729191333333 > -5.00 > 1 > 1 > 3 > 1 > 9.702576554982972 > 21.259999999999998 > 87.73390000000003 > 6 > 1 > 2.96e-03 g/l > biotin > 1 $$$$